SCHEMBL1289650

SCHEMBL1289650

NC(=O)c1ccc(-c2ccc3cc(O)ccc3n2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
F12 P00748 1/20 0.42
CHEK2 O96017 6/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
LCK P06239 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.37
ESRRB O95718 1/20 0.37
ESRRA P11474 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PFKFB3 Q16875 1/20 0.36

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
Cavosonstat SCHEMBL1289569 0.88 ESR1 (0.48) ESR1ESR2CHEK2HSD17B14MEN1
Cavosonstat SCHEMBL30578536 0.88 ESR1 (0.48) ESR1ESR2CHEK2HSD17B14MEN1
Cavosonstat SCHEMBL29433211 0.88 ESR1 (0.48) ESR1ESR2CHEK2HSD17B14MEN1
Cavosonstat SCHEMBL29371087 0.88 ESR1 (0.48) ESR1ESR2CHEK2HSD17B14MEN1
SCHEMBL26734496 0.84 HTT (0.44) ESR1ESR2HSD17B14LCKMEN1
SCHEMBL15096754 0.79 ESR1 (0.71) ESR1ESR2F12CHEK2HSD17B14
SCHEMBL1289504 0.75 ESR1 (0.51) ESR1ESR2HSD17B14MEN1MAPT
SCHEMBL1289708 0.75 ESR1 (0.48) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL1687490 0.75 ESR1 (0.48) ESR1ESR2F12HSD17B14MEN1
SCHEMBL31095778 0.74 LCK (0.49) CHEK2LCKMEN1MAPTKMT2A

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 26 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 disclosed
US-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-11-24 US disclosed
US-20160279117-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-09-29 US disclosed
US-9433618-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors LAUREL THERAPEUTICS LTD. (CN) 2016-08-04 US disclosed
US-9364481-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-06-14 US disclosed
US-9315462-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20160067254-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-03-10 US disclosed
EP-2977050-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS Nivalis Therapeutics, Inc. (US) 2016-01-27 EP disclosed
US-9221810-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-12-29 US disclosed
US-8921562-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-20140329821-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors NIVALIS THERAPEUTICS, INC. 2014-11-06 US disclosed
US-8785643-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-2651223-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors NIVALIS THERAPEUTICS, INC. 2013-10-03 US disclosed
EP-2624695-A1 NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-08-14 EP disclosed
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
CN-103200820-A Novel substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-07-10 CN 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 (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-20160340312-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 ESR1 1623/4885ESR2 1052/4885F12 4667/4885
US-20160279117-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885F12 4351/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 ESR1 1623/4885ESR2 1052/4885F12 4667/4885
US-20140329821-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885F12 4351/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 ESR1 1623/4885ESR2 1052/4885F12 4667/4885
US-20160067254-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885F12 4351/4885
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885F12 4351/4885

“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.