SCHEMBL9939679

SCHEMBL9939679

O=C(O)c1cnc(-c2ccc3cc(O)ccc3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.45
ESR1 P03372 5/20 0.45
HSD17B1 P14061 3/20 0.45
HSD17B2 P37059 2/20 0.45
FTO Q9C0B1 2/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ABL1 P00519 2/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHEK1 O14757 1/20 0.40

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
SCHEMBL9939518 0.81 FTO (0.53) ESR2ESR1HSD17B1HSD17B2FTO
SCHEMBL9939612 0.79 LDHA (0.57) ESR2ESR1HSD17B1HSD17B2FTO
SCHEMBL21200187 0.77 MEN1 (0.43) ESR2ESR1HSD17B1FTOABL1
SCHEMBL1179690 0.77 ERN1 (0.60) ESR2ESR1HSD17B1HSD17B2ABL1
SCHEMBL9939117 0.77 ESR1 (0.46) ESR2ESR1HSD17B1HSD17B2ABL1
SCHEMBL1179544 0.76 KMO (0.57) ESR2ESR1HSD17B1HSD17B2FTO
SCHEMBL29025766 0.76 ABL1 (0.54) ESR2ESR1HSD17B1HSD17B2FTO
SCHEMBL30356537 0.76 ABL1 (0.54) ESR2ESR1HSD17B1HSD17B2FTO
SCHEMBL2929188 0.73 LDHA (0.56) HSD17B1HSD17B2CYP4F2CYP4A11CYP3A4
SCHEMBL9938365 0.73 FTO (0.58) ESR2ESR1HSD17B1HSD17B2FTO

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US claimed
EP-2651871-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 EP claimed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US claimed
CN-103328430-A Novel substituted bicyclic aromatic compounds as s-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-09-25 CN claimed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 WO claimed
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 US disclosed
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 US disclosed
US-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-04-21 US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US disclosed
US-9249132-B2 Substituted bicyclic aromatic compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-02-02 US disclosed
EP-2651871-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2013-10-23 EP disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US disclosed
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 Pharmaceuticls, Inc. (US) 2013-10-03 US disclosed
CN-103328430-A Novel substituted bicyclic aromatic compounds as s-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-09-25 CN disclosed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 WO disclosed
WO-2012083171-A1 NOVEL SUBSTITUTED BICYCLIC AROMATIC COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-06-21 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 (2 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-20160108011-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR2 599/4885ESR1 908/4885HSD17B1 187/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR2 599/4885ESR1 908/4885HSD17B1 187/4885

“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.