SCHEMBL2596740

SCHEMBL2596740

Cc1c[n+]([O-])c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
TSHR P16473 5/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.38
GPR35 Q9HC97 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
RAB9A P51151 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36

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
SCHEMBL26077511 0.81 VCAM1 (0.46) CYP1A2TSHRALDH1A1CYP3A4GPR35
SCHEMBL6508786 0.81 ALDH1A1 (0.40) CYP1A2ALDH1A1CYP3A4MAPTKDM4E
SCHEMBL540381 0.81 MAPT (0.45) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL1338960 0.78 VCAM1 (0.44) CYP1A2TSHRALDH1A1CYP3A4MAPT
SCHEMBL29546613 0.78 VCAM1 (0.44) CYP1A2TSHRALDH1A1CYP3A4MAPT
SCHEMBL29671003 0.78 TSHR (0.42) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL624089 0.78 TSHR (0.42) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL4893554 0.78 TSHR (0.50) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL19616214 0.77 ALDH1A1 (0.43) CYP1A2ALDH1A1CYP3A4MAPTHSD17B10
SCHEMBL1338313 0.77 HCAR3 (0.43) CYP1A2ALDH1A1RECQLMAPTSMN1; SMN2

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 65 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
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-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-10-27 US disclosed
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC. 2022-09-22 US disclosed
US-11034690-B2 Heterocyclic modulators of lipid synthesis Saginiet Biosciences Inc. (US) 2021-06-15 US disclosed
EP-3190108-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS SAGIMET BIOSCIENCES INC (US) 2021-05-19 EP disclosed
US-20030225063-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 US disclosed
US-20030225062-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-12-04 US disclosed
US-6635633-B2 Substituted pyrazoles ORTHO-PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-6579896-B2 Immunology response; autoimmune disease ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 US disclosed
EP-1315492-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho McNeil Pharmaceutical, Inc. (US) 2003-06-04 EP disclosed
EP-1309592-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 EP disclosed
US-20020147189-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-10-10 US disclosed
US-20020040019-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 US disclosed
WO-2002020013-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 WO disclosed
WO-2002014317-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 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 (11 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-20030225062-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CYP1A2 1392/4885TSHR 2617/4885ALDH1A1 2313/4885
US-20220340556-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 CYP1A2 293/4885TSHR 3670/4885ALDH1A1 651/4885
US-20020040019-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CYP1A2 1392/4885TSHR 2617/4885ALDH1A1 2313/4885
US-20230405016-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 CYP1A2 467/4885TSHR 3688/4885ALDH1A1 768/4885
US-20030225063-A1 Substituted pyrazoles CTSS, CTSZ, CTSV CYP1A2 1392/4885TSHR 2617/4885ALDH1A1 2313/4885
US-20240400552-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 CYP1A2 293/4885TSHR 3670/4885ALDH1A1 651/4885
US-11034690-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, SCD CYP1A2 421/4885TSHR 3590/4885ALDH1A1 724/4885
US-20220296605-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, SCD CYP1A2 421/4885TSHR 3590/4885ALDH1A1 724/4885
US-12551490-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 CYP1A2 181/4885TSHR 1369/4885ALDH1A1 540/4885
US-20020147189-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 CYP1A2 72/4885TSHR 3090/4885ALDH1A1 939/4885
US-11622968-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, SCD CYP1A2 421/4885TSHR 3590/4885ALDH1A1 724/4885

“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.