SCHEMBL9938307

SCHEMBL9938307

COC(=O)c1ccc(-c2ccc3c(F)c(OC)ccc3c2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
EGFR P00533 2/20 0.40
MAPT P10636 4/20 0.39
MAP2K4 P45985 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DYRK1A Q13627 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ERN1 O75460 1/20 0.37

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
SCHEMBL9938406 0.76 PLAU (0.48) EGFRMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL16534849 0.75 PTGS1 (0.43) PTGS1EGFRMAPTKDM4EL3MBTL1
SCHEMBL9938384 0.75 EGFR (0.46) EGFRMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL23088079 0.73 LOXL2 (0.48) PTGS1EGFRMAPTCYP1A2CYP3A4
SCHEMBL29792744 0.73 LOXL2 (0.48) PTGS1EGFRMAPTCYP1A2CYP3A4
SCHEMBL23629582 0.72 CA1 (0.43) PTGS1MAPTMAP2K4KDM4EKMT2A
SCHEMBL9938394 0.71 KDM4E (0.43) KDM4EHSD17B10ERN1
SCHEMBL1289561 0.71 TDO2 (0.50) MAPTMAP2K4SMN1; SMN2KDM4EHSD17B10
SCHEMBL3722137 0.70 EGFR (0.51) PTGS1EGFRMAPTKDM4ECA1
SCHEMBL2946107 0.70 PTGS1 (0.55) PTGS1EGFRMAPTMAP2K4CYP1A2

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 5 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
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 PTGS1 388/4885EGFR 2301/4885MAPT 3577/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR PTGS1 388/4885EGFR 2301/4885MAPT 3577/4885

“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.