SCHEMBL8159792

SCHEMBL8159792

C[S+]([O-])c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 2/20 0.55
GPR35 Q9HC97 2/20 0.55
TP53 P04637 2/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL9318675 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL7108888 0.85 SMN1; SMN2 (0.58) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL9318677 0.85 TSHR (0.43) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL21695808 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL21695800 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1GPR35TP53HPGD
SCHEMBL21260572 0.80 TSHR (0.55) ALDH1A1MAPK1TSHRSMN1; SMN2HSD17B10
SCHEMBL2080018 0.79 VCAM1 (0.50) ALDH1A1MAPK1HPGDTSHRMAPT
SCHEMBL11655004 0.79 TSHR (0.58) ALDH1A1HPGDTSHRSMN1; SMN2ALOX15
SCHEMBL9222965 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CA1MAPTLMNA
SCHEMBL6514054 0.79 TSHR (0.36) ALDH1A1MAPK1GPR35TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920004-B2 Method for producing phenolic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
US-20170137377-A1 METHOD FOR PRODUCING PHENOLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-18 US disclosed
US-9615580-B2 Fused heterocyclic compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-11 US disclosed
US-20150313234-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-05 US disclosed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 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-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-20170137377-A1 METHOD FOR PRODUCING PHENOLIC COMPOUND HAO2, AOX1, QSOX1 ALDH1A1 166/4885MAPK1 550/4885GPR35 3971/4885
US-20150313234-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF FOR PEST CONTROL AFF1, AFF2, PYM1 ALDH1A1 1355/4885MAPK1 1836/4885GPR35 3334/4885

“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.