SCHEMBL7549178

SCHEMBL7549178

Cc1cc(O)c([N+](=O)[O-])cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.47
CTSB P07858 1/20 0.42
CTSH P09668 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
SNCA P37840 1/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
Formaldehyde SCHEMBL27584775 0.96 GPR35 (0.44) GPR35CTSBCTSHALDH1A1MAPT
SCHEMBL31481289 0.85 GPR35 (0.47) GPR35CTSBCTSHALDH1A1MAPT
SCHEMBL30197179 0.80 ALDH1A1 (0.51) GPR35ALDH1A1MAPTTDP1LMNA
SCHEMBL843761 0.80 ALDH1A1 (0.51) GPR35ALDH1A1MAPTTDP1LMNA
SCHEMBL1958991 0.80 GPR35 (0.47) GPR35CTSBALDH1A1MAPTTDP1
SCHEMBL8564092 0.77 MAPK1 (0.47) GPR35ALDH1A1MAPTTDP1KDM4E
SCHEMBL15270693 0.77 ALDH1A1 (0.44) GPR35ALDH1A1MAPTTDP1LMNA
SCHEMBL28331225 0.77 GPR35 (0.44) GPR35ALDH1A1MAPTTDP1KDM4E
SCHEMBL12391630 0.77 TSHR (0.46) GPR35ALDH1A1MAPTTDP1LMNA
SCHEMBL8781226 0.77 TDP1 (0.48) ALDH1A1MAPTTDP1LMNAHTT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119742448-A High-voltage additive for lithium battery electrolyte, electrolyte and lithium ion battery 中国科学院宁波材料技术与工程研究所 2025-04-01 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
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2011-03-10 US disclosed
EP-1224187-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED HETEROCYCLES NEUROGEN CORPORATION (US) 2002-07-24 EP disclosed
WO-2001023389-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED HETEROCYCLES NEUROGEN CORPORATION (US) 2001-04-05 WO disclosed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-6017934-A Thrombin inhibitors MERCK & CO., INC. (US) 2000-01-25 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US 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 1158/4885CTSB 204/4885CTSH 837/4885
US-20110059976-A1 PYRIDO PYRIMIDINONES, DIHYDRO PYRIMIDO PYRIMIDINONES AND PTERIDINONES USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF GPR35 3658/4885CTSB 3876/4885CTSH 4813/4885

“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.