SCHEMBL196542

SCHEMBL196542

CN(C)c1[c]ccc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
SARM1 Q6SZW1 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL27606577 0.78 ALOX5 (0.38) KMT2AGAATAAR1
SCHEMBL8659969 0.74 ALDH1A1 (0.33)
SCHEMBL2777570 0.74 ALDH1A1 (0.39) MAPT
SCHEMBL7423522 0.73 APP (0.33) KMT2ATAAR1
SCHEMBL10605495 0.73 TAAR1 (0.31) TAAR1
SCHEMBL7482396 0.71 HTR2A (0.30) KCNH2
SCHEMBL3250971 0.70 GAA (0.30) GAA
SCHEMBL1636372 0.70 LMNA (0.33) GAAHTT
SCHEMBL27588520 0.70 TRPA1 (0.34)
SCHEMBL15389770 0.70 CA1 (0.35) KMT2AMEN1MAPT

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 19 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 claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US claimed
CN-102712620-B 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN LA ROCHE 2014-02-26 CN claimed
JP-2012500216-A 2012-01-05 JP claimed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US claimed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
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
CN-102712620-B 4-phenoxy-nicotinamide or 4-phenoxy-pyrimidine-5-carboxamide compounds HOFFMANN LA ROCHE 2014-02-26 CN 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
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
US-5733922-A Imidazole derivative, pharmaceutically acceptable salt thereof, and anti-ulcer drug including such derivative or salt ARAX CO., LTD. (JP) 1998-03-31 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed
EP-0728747-A1 Imidazole derivative, pharmaceutically acceptable salt thereof, process of manufacture therefor, and anti-ulcer drug including such derivative or salt ARAX CO., LTD. (JP) 1996-08-28 EP 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 KMT2A 3634/4885GAA 1415/4885MEN1 4582/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR KMT2A 3634/4885GAA 1415/4885MEN1 4582/4885

“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.