SCHEMBL1289607

SCHEMBL1289607

O=C(O)c1ccc(-c2nc3ccc(O)cc3cc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
CDH1 P12830 1/20 0.44
APC P25054 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
DHODH Q02127 4/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
MAPK1 P28482 2/20 0.41
MAP2K4 P45985 2/20 0.41
MAPK6 Q16659 2/20 0.41
MAPKAPK3 Q16644 1/20 0.41

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
SCHEMBL1289652 0.82 KDM4E (0.50) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL1289622 0.81 KDM4E (0.55) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL1687496 0.80 KDM4E (0.47) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL1289572 0.80 CDH1 (0.54) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL9939393 0.79 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL1289603 0.76 ESR1 (0.46) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL31419283 0.73 SMN1; SMN2 (0.48) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL1289704 0.72 CDH1 (0.51) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL1289507 0.72 ESR2 (0.44) SMN1; SMN2TYR
SCHEMBL1289517 0.72 ESR1 (0.73) KDM4EALDH1A1CHEK1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 US claimed
US-20170281612-A1 Methods for the Treatment of Cystic Fibrosis NIVALIS THERAPEUTICS, INC. 2017-10-05 US claimed
EP-3204010-A1 METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Nivalis Therapeutics, Inc. (US) 2017-08-16 EP claimed
US-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-11-24 US claimed
US-9433618-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-09-06 US claimed
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-08-04 US claimed
US-9315462-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-04-19 US claimed
WO-2016057811-A1 METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS NIVALIS THERAPEUTICS, INC. (US) 2016-04-14 WO claimed
EP-2977050-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS Nivalis Therapeutics, Inc. (US) 2016-01-27 EP claimed
US-20150336897-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2015-11-26 US claimed
EP-2624695-B1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2015-09-23 EP claimed
US-9139528-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-20150080429-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2015-03-19 US claimed
US-8921562-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-12-30 US claimed
EP-2624695-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-08-14 EP claimed
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2013-07-11 US claimed
CN-103200820-A Novel substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-07-10 CN claimed
WO-2012048181-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-04-12 WO claimed
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 US disclosed
WO-2012048181-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-04-12 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 (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-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 KDM4E 2042/4885ALDH1A1 290/4885GAA 1014/4885
US-20170281612-A1 Methods for the Treatment of Cystic Fibrosis GSR, CBS, CTH KDM4E 4097/4885ALDH1A1 465/4885GAA 333/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 KDM4E 2042/4885ALDH1A1 290/4885GAA 1014/4885
US-20150336897-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 KDM4E 2042/4885ALDH1A1 290/4885GAA 1014/4885
US-20150080429-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 KDM4E 2042/4885ALDH1A1 290/4885GAA 1014/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 KDM4E 2042/4885ALDH1A1 290/4885GAA 1014/4885

“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.