SCHEMBL9939233

SCHEMBL9939233

COC(=O)c1ccc(-c2cc3ccc(OCc4ccccc4)cc3cc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.55
P2RY14 Q15391 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 2/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 3/20 0.47
ALOX5 P09917 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
MAOB P27338 1/20 0.46
GSTP1 P09211 1/20 0.46
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGFR P00533 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45

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
SCHEMBL9939319 0.90 PTPN7 (0.56) PTPN7P2RY14MEN1KMT2ASMN1; SMN2
SCHEMBL9939296 0.90 P2RY14 (0.59) P2RY14MEN1KMT2ASMN1; SMN2ALOX5
SCHEMBL9939405 0.85 PTPN7 (0.52) PTPN7P2RY14MEN1KMT2ASMN1; SMN2
SCHEMBL28152490 0.84 ALOX5 (0.67) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL1777985 0.83 ALOX5 (0.60) P2RY14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1779167 0.83 ALOX5 (0.59) P2RY14MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9939093 0.81 PTPN7 (0.50) PTPN7P2RY14MEN1KMT2ASMN1; SMN2
SCHEMBL9268448 0.81 NPC1 (0.71) PTPN7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9343582 0.80 SMN1; SMN2 (0.65) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL978502 0.79 RAB9A (0.71) MEN1KMT2ASMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-103328430-A Novel substituted bicyclic aromatic compounds as s-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS LLC 2013-09-25 CN disclosed
WO-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 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 PTPN7 2754/4885P2RY14 4423/4885MEN1 4669/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR PTPN7 2754/4885P2RY14 4423/4885MEN1 4669/4885

“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.