SCHEMBL610407

SCHEMBL610407

COC(=O)c1cc([N+](=O)[O-])n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SIRT6 Q8N6T7 1/20 0.37
F2 P00734 1/20 0.37
PLAU P00749 1/20 0.37
KLKB1 P03952 1/20 0.37
ELANE P08246 1/20 0.37
CTRB1 P17538 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
VCAM1 P19320 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28974019 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MAPTKDM4ESIRT6F2
SCHEMBL15814352 0.81 L3MBTL1 (0.37) MAPTKDM4EMAPK1MEN1KMT2A
SCHEMBL5813872 0.81 PDE4A (0.41) SMN1; SMN2MAPTKDM4EF2PLAU
SCHEMBL6476528 0.81 BAZ2B (0.58) SMN1; SMN2KDM4EMEN1KMT2ABAZ2B
SCHEMBL6611836 0.80 PLA2G10 (0.43) SMN1; SMN2MAPK1MEN1KMT2ABAZ2B
SCHEMBL15813423 0.79 BAZ2B (0.41) KDM4EKMT2ABAZ2B
SCHEMBL6303789 0.77 KMT2A (0.41) MAPTMAPK1MEN1KMT2ABAZ2B
SCHEMBL15813564 0.76 ALDH1A1 (0.35) MAPK1BAZ2BALDH1A1
SCHEMBL21960986 0.76 KDM4E (0.36) SMN1; SMN2MAPTKDM4EF2PLAU
SCHEMBL4037598 0.76 MAPT (0.36) SMN1; SMN2MAPTKDM4EF2PLAU

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12551490-B2 Heterocyclic modulators of lipid synthesis SAGIMET BIOSCIENCES INC. (US) 2026-02-17 US disclosed
US-20240400552-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2024-12-05 US disclosed
EP-3702354-B1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO LTD (CN) 2024-05-22 EP disclosed
US-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEWYORK 2023-12-28 US disclosed
US-20230405016-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2023-12-21 US disclosed
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
US-11622968-B2 Heterocyclic modulators of lipid synthesis SAGIMET BIOSCIENCES INC. (US) 2023-04-11 US disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN SCIENCES IRELAND UNLIMITED CO (US) 2022-11-03 US disclosed
US-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-10-27 US disclosed
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2007-07-12 US disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2007-05-31 US disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 WO disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
EP-1635821-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL)AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP disclosed
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-02-10 US disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004099155-A2 4-BROMO-5-(2-CHLORO-BENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXYLIC ACID (PHENYL) AMIDE DERIVATES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230416228-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FOXO1, FOXO3, GCKR SMN1; SMN2 495/4885MAPT 3209/4885KDM4E 1362/4885
US-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 SMN1; SMN2 4777/4885MAPT 4233/4885KDM4E 1641/4885
US-20220348571-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP SMN1; SMN2 4699/4885MAPT 4190/4885KDM4E 3791/4885
US-20070123531-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (phenyl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, LTB4R SMN1; SMN2 3517/4885MAPT 2631/4885KDM4E 3612/4885
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 SMN1; SMN2 3553/4885MAPT 2597/4885KDM4E 4503/4885
US-20230405016-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 SMN1; SMN2 4807/4885MAPT 4335/4885KDM4E 1717/4885
US-20070161633-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carboxylic acid (1-aminocarbonyl)eth-1-yl) amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, HRH2 SMN1; SMN2 3773/4885MAPT 4030/4885KDM4E 2868/4885
US-20240400552-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 SMN1; SMN2 4777/4885MAPT 4233/4885KDM4E 1641/4885
US-20050032868-A1 Selected substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 SMN1; SMN2 3416/4885MAPT 2669/4885KDM4E 4512/4885
US-12551490-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 SMN1; SMN2 4623/4885MAPT 4749/4885KDM4E 1054/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 SMN1; SMN2 3662/4885MAPT 3561/4885KDM4E 2152/4885
US-11622968-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, SCD SMN1; SMN2 4807/4885MAPT 4329/4885KDM4E 1740/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.