SCHEMBL242864

SCHEMBL242864

Cc1cn(-c2ccc(-c3ccc(CCC(=O)O)n3-c3ccc(C(N)=O)cc3C)cc2)cn1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 1/20 0.75
CYP2C19 P33261 1/20 0.75
MAPT P10636 6/20 0.46
POLB P06746 5/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 2/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL248012 0.89 ADH5 (0.80) ADH5CYP2C19MAPTPOLBTP53
SCHEMBL244680 0.86 ADH5 (0.78) ADH5CYP2C19MAPTPOLBTP53
N6022 SCHEMBL29502874 0.86 ADH5 (1.00) ADH5CYP2C19MAPTPOLBTP53
N6022 SCHEMBL244480 0.86 ADH5 (1.00) ADH5CYP2C19MAPTPOLBTP53
SCHEMBL244176 0.86 ADH5 (0.74) ADH5CYP2C19MAPTPOLBTP53
SCHEMBL245660 0.84 ADH5 (0.71) ADH5CYP2C19MAPTPOLBTP53
SCHEMBL243641 0.84 ADH5 (0.75) ADH5CYP2C19MAPTPOLBTP53
SCHEMBL244620 0.84 ADH5 (0.72) ADH5CYP2C19MAPTPOLBTP53
SCHEMBL243935 0.83 ADH5 (0.70) ADH5CYP2C19MAPTPOLBTP53
SCHEMBL1835725 0.83 ADH5 (0.70) ADH5CYP2C19MAPTPOLBTP53

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814700-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2017-11-14 US claimed
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2017-02-23 US claimed
US-9498466-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2016-11-22 US claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
EP-3069721-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS Nivalis Therapeutics, Inc. (US) 2016-09-21 EP claimed
EP-2315591-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-03-16 EP claimed
US-20160045477-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2016-02-18 US claimed
US-9180119-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-11-10 US claimed
US-20150126570-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2015-05-07 US claimed
US-8957105-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2015-02-17 US claimed
US-20140155447-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-06-05 US claimed
US-8673961-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-03-18 US claimed
JP-2012500219-A 2012-01-05 JP claimed
JP-2012500216-A 2012-01-05 JP claimed
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US 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
EP-2315591-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-04 EP claimed
WO-2010019910-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20160045477-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885MAPT 3482/4885
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885MAPT 3482/4885
US-20140155447-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885MAPT 3482/4885
US-20150126570-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885MAPT 3482/4885
US-20110144180-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885MAPT 3482/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885MAPT 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.