SCHEMBL244359

SCHEMBL244359

O=C(O)CCc1ccc(-c2ccc(-n3ccnc3)cc2)n1-c1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
MEN1 O00255 6/20 0.66
KMT2A Q03164 6/20 0.66
KDM4E B2RXH2 4/20 0.66
ADH5 P11766 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALDH1A1 P00352 4/20 0.62
TBXAS1 P24557 2/20 0.52
ENPP2 Q13822 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL242408 0.87 MAPT (0.70) MAPTMEN1KMT2AKDM4EADH5
SCHEMBL246638 0.86 ADH5 (0.79) MAPTMEN1KMT2AKDM4EADH5
SCHEMBL242343 0.84 ADH5 (0.60) MAPTMEN1KMT2AKDM4EADH5
SCHEMBL243220 0.82 MAPT (0.49) MAPTMEN1KMT2AKDM4EADH5
SCHEMBL245889 0.80 MAPT (0.73) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1903643 0.80 MEN1 (1.00) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL240913 0.79 ADH5 (0.80) MAPTMEN1KMT2AKDM4EADH5
SCHEMBL243284 0.78 ENPP2 (0.46) MAPTMEN1KMT2AKDM4EADH5
N6022 SCHEMBL29502874 0.78 ADH5 (1.00) MAPTMEN1KMT2AKDM4EADH5
SCHEMBL245189 0.78 ADH5 (0.78) MAPTMEN1KMT2AKDM4EADH5

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
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
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-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US 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-20140135396-A1 Treatment of Acetaminophen-Induced Liver Damage by the Administration of Modulators of Nitric Oxide BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-05-15 US disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US 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 (3 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-20140135396-A1 Treatment of Acetaminophen-Induced Liver Damage by the Administration of Modulators of Nitric Oxide OAT, NOS2, NOS3 MAPT 1746/4885MEN1 4465/4885KMT2A 3410/4885
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885MEN1 4582/4885KMT2A 3634/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885MEN1 4582/4885KMT2A 3634/4885

“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.