SCHEMBL9938400

SCHEMBL9938400

COc1ccc2c(C#N)c(O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
NQO1 P15559 1/20 0.47
KDM4E B2RXH2 4/20 0.45
PIM1 P11309 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
PABPC1 P11940 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 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
SCHEMBL26259323 0.82 NQO1 (0.49) NQO1KDM4EPIM1MEN1KMT2A
SCHEMBL15322111 0.81 NQO1 (0.47) NQO1KDM4EMEN1KMT2AMAPT
SCHEMBL25017593 0.80 NQO1 (0.50) NQO1KDM4EMEN1KMT2AMAPT
SCHEMBL20031652 0.79 MEN1 (0.44) ESR1ESR2NQO1KDM4EPIM1
SCHEMBL11199463 0.79 KDM4E (0.50) NQO1KDM4EMAPTLMNAALDH1A1
SCHEMBL28846545 0.78 CYP1A2 (0.50) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL30932089 0.78 LCK (0.56) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL11433999 0.78 LCK (0.56) ESR1ESR2KDM4EMEN1KMT2A
SCHEMBL10874187 0.77 ABCC8 (0.49) NQO1KDM4EMEN1KMT2AMAPT
SCHEMBL1359473 0.75 ESR1 (0.53) ESR1ESR2KDM4EMEN1KMT2A

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 ESR1 908/4885ESR2 599/4885NQO1 13/4885
US-20130261122-A1 Novel Substituted Bicyclic Aromatic Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, CBR1, POR ESR1 908/4885ESR2 599/4885NQO1 13/4885

“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.