SCHEMBL9939707

SCHEMBL9939707

COc1c(Br)ccc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
MAOB P27338 5/20 0.50
NPC1 O15118 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT3 P36888 1/20 0.44
P2RY14 Q15391 1/20 0.43
ACHE P22303 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
MAOA P21397 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 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
SCHEMBL1358868 0.84 ALOX5 (0.50) ALOX5MAOBNPC1MEN1RAB9A
SCHEMBL19612377 0.82 ALOX5 (0.58) ALOX5MAOBNPC1MEN1RAB9A
SCHEMBL1360827 0.81 ALOX5 (0.59) ALOX5MAOBNPC1MEN1RAB9A
SCHEMBL15266968 0.79 CYP1A2 (0.48) MEN1KMT2A
SCHEMBL19612330 0.79 ALOX5 (0.61) ALOX5MAOBNPC1MEN1RAB9A
SCHEMBL3823883 0.77 MAOB (0.62) ALOX5MAOBRAB9ACA12CA1
SCHEMBL6119729 0.77 MAOB (0.58) ALOX5MAOBPDGFRBPDGFRAMAOA
SCHEMBL31725937 0.77 MAOB (0.58) ALOX5MAOBPDGFRBPDGFRAMAOA
SCHEMBL6225189 0.76 TUBB4A (0.52) ALOX5MAOBPDGFRBPDGFRA
SCHEMBL19612473 0.76 ALOX5 (0.61) ALOX5MAOBNPC1MEN1RAB9A

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 ALOX5 658/4885MAOB 86/4885NPC1 1497/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ALOX5 658/4885MAOB 86/4885NPC1 1497/4885

“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.