SCHEMBL1836767

SCHEMBL1836767

CCOC(=O)Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C(N)=O)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
ADH5 P11766 1/20 0.48
MAPT P10636 6/20 0.46
POLB P06746 2/20 0.46
MYC P01106 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CHRNA7 P36544 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
KDM4E B2RXH2 3/20 0.34
RECQL P46063 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1903190 0.91 MAPT (0.49) CYP2C19ADH5MAPTPOLBMYC
SCHEMBL1826552 0.90 ADH5 (0.55) CYP2C19ADH5MAPTPOLBMYC
SCHEMBL3257284 0.86 MAPT (0.46) CYP2C19ADH5MAPTPOLBMYC
SCHEMBL1837599 0.85 ADH5 (0.45) CYP2C19ADH5MAPTPOLBKMT2A
SCHEMBL243782 0.81 ADH5 (0.69) CYP2C19ADH5MAPTPOLBMYC
SCHEMBL16480968 0.81 ADH5 (0.56) CYP2C19ADH5MAPTPOLBMYC
SCHEMBL1835007 0.81 ADH5 (0.56) CYP2C19ADH5MAPTPOLBMYC
SCHEMBL1847134 0.81 ADH5 (0.56) CYP2C19ADH5MAPTPOLBMYC
SCHEMBL1826262 0.80 ADH5 (0.55) CYP2C19ADH5MAPTPOLBMYC
SCHEMBL12556796 0.80 ADH5 (0.55) CYP2C19ADH5MAPTPOLBMYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP disclosed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885

“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.