SCHEMBL242291

SCHEMBL242291

CCc1nccn1-c1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(N)=O)cc2C)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.56
ADH5 P11766 1/20 0.56
MAPT P10636 12/20 0.44
ALDH1A1 P00352 8/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 10/20 0.37
TP53 P04637 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 6/20 0.36
PKM P14618 5/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MCL1 Q07820 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL244136 0.93 CYP2C19 (0.58) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL27861020 0.90 CYP2C19 (0.45) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL246670 0.86 ADH5 (0.71) CYP2C19ADH5MAPTALDH1A1POLB
SCHEMBL15762719 0.85 CYP2C19 (0.49) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL14488010 0.85 ADH5 (0.64) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL241778 0.85 ADH5 (0.47) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL243796 0.83 CYP2C19 (0.72) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL14488398 0.81 ADH5 (0.64) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL18124144 0.81 ADH5 (0.44) CYP2C19ADH5MAPTALDH1A1ATM
SCHEMBL243674 0.81 CYP2C19 (0.61) CYP2C19ADH5MAPTALDH1A1ATM

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 68 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 CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20140155447-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20150126570-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR CYP2C19 548/4885ADH5 82/4885MAPT 3482/4885
US-20110144180-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.