SCHEMBL1289587

SCHEMBL1289587

COc1ccc2nc(-c3ccc(C(=O)O)cc3Cl)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
CHEK2 O96017 2/20 0.43
EGFR P00533 1/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
NCF1 P14598 1/20 0.43

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 SCHEMBL29371087 0.82 ESR1 (0.48) KDM4ECHEK2MAPTSMN1; SMN2NPC1
Cavosonstat SCHEMBL1289569 0.82 ESR1 (0.48) KDM4ECHEK2MAPTSMN1; SMN2NPC1
Cavosonstat SCHEMBL30578536 0.82 ESR1 (0.48) KDM4ECHEK2MAPTSMN1; SMN2NPC1
Cavosonstat SCHEMBL29433211 0.82 ESR1 (0.48) KDM4ECHEK2MAPTSMN1; SMN2NPC1
SCHEMBL6819765 0.81 SMN1; SMN2 (0.53) KDM4ECHEK2MAPTPOLBALDH1A1
SCHEMBL1289684 0.81 KDM4E (0.60) KDM4ECHEK2MAPTATMALDH1A1
SCHEMBL9939086 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDLMNARAB9A
SCHEMBL31443019 0.77 HPSE (0.44) KDM4ECHEK2ALDH1A1HPGDHSD17B10
SCHEMBL29788258 0.76 FFAR2 (0.56) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2034801 0.76 FFAR2 (0.56) KDM4EMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399946-B2 Solid forms of an S-Nitrosoglutathione reductase inhibitor LAUREL THERAPEUTICS LTD. (CN) 2019-09-03 US disclosed
US-20190040014-A1 Solid Forms of an S-Nitrosoglutathione Reductase Inhibitor LAUREL THERAPEUTICS LTD. (CN) 2019-02-07 US disclosed
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 US disclosed
WO-2017044766-A1 SOLID FORMS OF AN S-NITROSOGLUTATHIONE REDUCTASE INHIBITOR NIVALIS THERAPEUTICS, INC. (US) 2017-03-16 WO disclosed
WO-2017044788-A1 FORMULATIONS OF AN S-NITROSOGLUTATHIONE REDUCTASE INHIBITOR NIVALIS THERAPEUTICS, INC. (US) 2017-03-16 WO 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-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 (8 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 2042/4885CHEK2 3233/4885EGFR 4422/4885
US-20190040014-A1 Solid Forms of an S-Nitrosoglutathione Reductase Inhibitor SPR, POR, GRHPR KDM4E 1594/4885CHEK2 3384/4885EGFR 3806/4885
US-20160279117-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR KDM4E 1484/4885CHEK2 3149/4885EGFR 2301/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 KDM4E 2042/4885CHEK2 3233/4885EGFR 4422/4885
US-20140329821-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR KDM4E 1484/4885CHEK2 3149/4885EGFR 2301/4885
US-10399946-B2 Solid forms of an S-Nitrosoglutathione reductase inhibitor SPR, POR, GRHPR KDM4E 1594/4885CHEK2 3384/4885EGFR 3806/4885
US-20160220556-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 KDM4E 2042/4885CHEK2 3233/4885EGFR 4422/4885
US-20130261123-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR KDM4E 1484/4885CHEK2 3149/4885EGFR 2301/4885

“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.