SCHEMBL4665252

SCHEMBL4665252

CCCCCc1cc(=O)[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.58
CTSL P07711 2/20 0.58
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 6/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 6/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL9157826 0.84 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRMAPK1HPGD
SCHEMBL9156334 0.84 ALDH1A1 (0.66) ALDH1A1KDM4ETSHRMAPK1HPGD
SCHEMBL1771514 0.83 CYP1A2 (0.63) ALDH1A1KDM4ETSHRMAPK1HPGD
SCHEMBL9154974 0.83 ALDH1A1 (0.64) ALDH1A1KDM4ETSHRMAPK1HPGD
SCHEMBL9157942 0.83 ALDH1A1 (0.50) CTSVCTSLALDH1A1KDM4ETSHR
SCHEMBL9158331 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRMAPK1HPGD
SCHEMBL9160532 0.81 KMT2A (0.52) ALDH1A1KDM4ETSHRMAPK1HPGD
SCHEMBL12668935 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL12668022 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRHPGDHSD17B10
SCHEMBL12668940 0.80 BID (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO disclosed
EP-1575589-A4 ATROPISOMERS OF 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2008-05-21 EP disclosed
EP-1133474-B1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-02-21 EP disclosed
US-7179920-B2 3-thia-4-arylquinolin-2-one derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-20 US disclosed
US-7151180-B2 3-((hetero)arylthio)-1,2-dihydroquinolin-2-ones such as 3-[(4-aminophenyl)thio]-4-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-2(1H)-quinoline; erectile dysfunction and irritable bowel syndrome BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-19 US disclosed
US-7145013-B2 3-thia-4-arylquinolin-2-one derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
US-7132542-B2 Compounds for the treatment of male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-07 US disclosed
US-7049309-B2 3-Thia-4-arylquinolin-2-one potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-23 US disclosed
US-20050176763-A1 3-Thia-4-arylquinolin-2-one potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2005-08-11 US disclosed
US-20050124611-A1 Compounds for the treatment of male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2005-06-09 US disclosed
US-20050096329-A1 3-Thia-4-arylquinolin-2-one derivatives as smooth muscle relaxants BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US disclosed
US-20050080079-A1 3-Thia-4-arylquinolin-2-one derivatives BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
US-20050080082-A1 Potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
US-20050080105-A1 [4-(5-Chloro-2-hydroxy-phenyl)-2-oxo-6-trifluoromethyl- 1,2-dihydro-quinolin-3-ylsulfanyl]-acetic acid for example; potassium channel modulators for treating erectile dysfunction and irritable bowel syndrome BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
EP-1133474-A4 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
WO-2004058260-A1 ATROPISOMERS OF 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-15 WO disclosed
EP-1133474-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-19 EP disclosed
WO-2000034244-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-15 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 (7 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-20050124611-A1 Compounds for the treatment of male erectile dysfunction KCNN2, KCNJ11, KCNN1 CTSV 4850/4885CTSL 4667/4885ALDH1A1 606/4885
US-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 CTSV 3739/4885CTSL 3384/4885ALDH1A1 3775/4885
US-20050080079-A1 3-Thia-4-arylquinolin-2-one derivatives KCNQ2, KCNQ1, KCNJ2 CTSV 4843/4885CTSL 4784/4885ALDH1A1 551/4885
US-20050176763-A1 3-Thia-4-arylquinolin-2-one potassium channel modulators KCNQ2, KCNJ2, KCNQ1 CTSV 4872/4885CTSL 4813/4885ALDH1A1 762/4885
US-20050080082-A1 Potassium channel modulators KCNJ2, KCNJ11, KCNJ1 CTSV 4870/4885CTSL 4744/4885ALDH1A1 1373/4885
US-20050096329-A1 3-Thia-4-arylquinolin-2-one derivatives as smooth muscle relaxants KCNQ2, KCNQ1, KCNQ5 CTSV 4856/4885CTSL 4776/4885ALDH1A1 966/4885
US-20050080105-A1 [4-(5-Chloro-2-hydroxy-phenyl)-2-oxo-6-trifluoromethyl- 1,2-dihydro-quinolin-3-ylsulfanyl]-acetic acid for example; potassium channel modulators for treating erectile dysfunction and irritable bowel syndrome KCNJ2, KCNN2, KCNJ11 CTSV 4764/4885CTSL 4610/4885ALDH1A1 351/4885

“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.