SCHEMBL215923

SCHEMBL215923

COc1cc([N+](=O)[O-])c(C(=O)O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
TSHR P16473 1/20 0.45
CDK2 P24941 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL29465792 1.00 TPMT (0.51) TPMTPKMLMNAHTTPOLB
Potassium Ion SCHEMBL2681690 0.98 TPMT (0.50) TPMTPKMLMNAHTTPOLB
SCHEMBL2681686 0.98 TPMT (0.50) TPMTPKMLMNAHTTPOLB
SCHEMBL3698713 0.97 PKM (0.52) TPMTPKMLMNAHTTPOLB
SCHEMBL16945800 0.94 PKM (0.55) TPMTPKMLMNAHTTPOLB
SCHEMBL28708249 0.93 POLB (0.46) TPMTPKMLMNAHTTPOLB
SCHEMBL31549975 0.88 PKM (0.59) PKMLMNAHTTPOLBCYP3A4
SCHEMBL375897 0.88 PKM (0.59) PKMLMNAHTTPOLBCYP3A4
Methyl Alcohol SCHEMBL27781670 0.87 PKM (0.58) PKMLMNAHTTPOLBCYP3A4
Potassium Ion SCHEMBL2681688 0.86 LMNA (0.47) TPMTPKMLMNAHTTPOLB

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
CN-110590683-B Preparation method of intermediate of targeting drug AZD3759 山东四环药业股份有限公司 2022-08-19 CN claimed
CN-110590683-A Preparation method of intermediate of targeting drug AZD3759 山东四环药业股份有限公司 2019-12-20 CN claimed
US-20240382599-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2024-11-21 US disclosed
CN-118852118-A Compounds that inhibit tyrosine kinase activity and pharmaceutical compositions comprising the same 德州大学系统董事会 2024-10-29 CN disclosed
CN-114026083-B Heterocyclic inhibitors of tyrosine kinases 德州大学系统董事会 2024-07-09 CN disclosed
CN-116444447-B SOS1 and HDAC double-target quinazoline hydroxamic acid compound as well as preparation method and application thereof 中国药科大学 2023-09-22 CN disclosed
CN-116568689-A Polycyclic pyrimidine derivative as SOS1 inhibitor, and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2023-08-08 CN disclosed
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (TW) 2023-02-16 US disclosed
WO-2023287730-A1 TRICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC (US) 2023-01-19 WO disclosed
CN-110590683-B Preparation method of intermediate of targeting drug AZD3759 山东四环药业股份有限公司 2022-08-19 CN disclosed
WO-2022170917-A1 POLYCYCLIC PYRIMIDINE DERIVATIVE AS SOS1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州阿尔脉生物科技有限公司 2022-08-18 WO disclosed
EP-1567506-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS Array Biopharma, Inc. (US) 2005-08-31 EP disclosed
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ARRAY BIOPHARMA, INC. 2005-05-12 US disclosed
US-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
WO-2004046101-A2 CYANOGUANIDINES AND CYANOAMIDINES AS ERBB2 AND EGFR INHIBITORS ARRAY BIOPHARMA, INC. (US) 2004-06-03 WO disclosed
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC 2004-02-19 US disclosed
US-6649620-B2 Particularly in the treatment of benign prostatic hyperplasia. PFIZER INC. 2003-11-18 US disclosed
US-20030045525-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2003-03-06 US disclosed
EP-0875506-B1 Quinoline and quinazoline compounds useful in therapy PFIZER LTD (GB) 2003-02-26 EP disclosed
EP-0875506-A1 Quinoline and quinazoline compounds useful in therapy Pfizer Limited (GB) 1998-11-04 EP 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 (6 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-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them RET, CYP11B1, CYP11B2 TPMT 3074/4885PKM 108/4885LMNA 1003/4885
US-20030045525-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, BPHL TPMT 1566/4885PKM 1800/4885LMNA 378/4885
US-20240382599-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL TPMT 2786/4885PKM 3276/4885LMNA 4148/4885
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, SDHA TPMT 1375/4885PKM 1875/4885LMNA 411/4885
US-20050101617-A1 Cyanoguanidines and cyanoamidines as ErbB2 and EGFR inhibitors ERBB2, GRB2, EGFR TPMT 4333/4885PKM 3959/4885LMNA 3951/4885
US-20230046445-A1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ß-CELL PATHOGENESIS AND TREATING DIABETES PDIA4, PDIA6, PDIA5 TPMT 2563/4885PKM 1864/4885LMNA 4016/4885

“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.