SCHEMBL2596971

SCHEMBL2596971

Cc1nccc(O)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
MCL1 Q07820 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 7/20 0.37
KDM4E B2RXH2 4/20 0.37
CTSB P07858 3/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
CASP6 P55212 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
BRD4 O60885 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL31481292 1.00 GPR35 (0.44) GPR35ALDH1A1TDP1MCL1MEN1
SCHEMBL31571463 0.80 GPR35 (0.47) GPR35ALDH1A1TDP1MCL1MEN1
SCHEMBL1191637 0.80 GPR35 (0.47) GPR35ALDH1A1TDP1MCL1MEN1
SCHEMBL843559 0.80 ALDH1A1 (0.54) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL30197316 0.80 ALDH1A1 (0.54) ALDH1A1TDP1MEN1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL27851817 0.78 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL2747917 0.78 TSHR (0.45) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL2747912 0.78 TSHR (0.45) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL2972185 0.77 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL5126783 0.77 PKM (0.42) ALDH1A1TDP1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410125-A Preparation method of 2-methyl-3-nitro-4-hydroxypyridine 嘉兴逸泰生物科技有限公司 2023-07-11 CN claimed
US-20250145601-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYA THERAPEUTICS, INC. 2025-05-08 US disclosed
EP-4482831-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS Satya Therapeutics, Inc. (US) 2025-01-01 EP disclosed
CN-118696034-A Novel bicyclic compounds as RAD51 inhibitors 萨提亚疗法股份有限公司 2024-09-24 CN disclosed
WO-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 WO disclosed
CN-116410125-A Preparation method of 2-methyl-3-nitro-4-hydroxypyridine 嘉兴逸泰生物科技有限公司 2023-07-11 CN disclosed
CN-116410125-A Preparation method of 2-methyl-3-nitro-4-hydroxypyridine 嘉兴逸泰生物科技有限公司 2023-07-11 CN disclosed
CN-116410125-A Preparation method of 2-methyl-3-nitro-4-hydroxypyridine 嘉兴逸泰生物科技有限公司 2023-07-11 CN disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
EP-0750620-A4 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO INC (US) 1997-07-16 EP disclosed
EP-0750620-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO. INC. (US) 1997-01-02 EP disclosed
US-5496816-A Carbapenem antibacterial compounds, compositions containing such compounds and methods of treatment MERCK & CO., INC. (US) 1996-03-05 US disclosed
WO-1995025108-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1995-09-21 WO disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
EP-0526093-A1 New non-steroidal agents as 5-alpha reductase inhibitors MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 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 (2 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-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 GPR35 1158/4885ALDH1A1 3333/4885TDP1 3374/4885
US-20250145601-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS RAD51, ERCC4, ERCC2 GPR35 4077/4885ALDH1A1 4307/4885TDP1 59/4885

“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.