SCHEMBL1289698

SCHEMBL1289698

O=c1[nH]nc(-c2ccc(-c3ccc4cc(O)ccc4n3)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.60
▸ ESR2 Q92731 1/20 0.60
▸ NOTUM Q6P988 17/20 0.50
▸ TYMP P19971 1/20 0.42
▸ AR P10275 1/20 0.42

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
SCHEMBL1289636 0.78 ESR1 (0.61) ESR1ESR2AR
SCHEMBL18057688 0.76 ESR1 (0.63) ESR1ESR2AR
SCHEMBL17091596 0.74 NOTUM (0.53) NOTUM
SCHEMBL1289641 0.74 ESR1 (0.60) ESR1ESR2NOTUMAR
SCHEMBL3161469 0.73 ESR2 (0.72) ESR1ESR2AR
SCHEMBL1289649 0.73 ESR1 (0.67) ESR1ESR2AR
SCHEMBL1289634 0.73 ESR1 (0.61) ESR1ESR2AR
SCHEMBL17689179 0.71 ESR1 (0.80) ESR1ESR2AR
SCHEMBL25722370 0.71 ESR1 (0.80) ESR1ESR2AR
SCHEMBL28992118 0.71 ESR1 (0.80) ESR1ESR2AR

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 78 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
WO-2016057811-A1 METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS NIVALIS THERAPEUTICS, INC. (US) 2016-04-14 — — WO 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
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
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 — — US disclosed
US-20170281612-A1 Methods for the Treatment of Cystic Fibrosis NIVALIS THERAPEUTICS, INC. 2017-10-05 — — US disclosed
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2013-07-11 — — US disclosed
WO-2012083165-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 — — WO 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 (5 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 ESR1 1623/4885ESR2 1052/4885NOTUM 963/4885
US-20170281612-A1 Methods for the Treatment of Cystic Fibrosis GSR, CBS, CTH ESR1 4343/4885ESR2 3306/4885NOTUM 478/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 ESR1 1623/4885ESR2 1052/4885NOTUM 963/4885
US-20150080429-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 ESR1 1623/4885ESR2 1052/4885NOTUM 963/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 ESR1 1623/4885ESR2 1052/4885NOTUM 963/4885

“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.

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