SCHEMBL244498

SCHEMBL244498

Cc1cc(O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
POLB P06746 7/20 0.67
MAPT P10636 8/20 0.59
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 4/20 0.59
HTT P42858 1/20 0.59
MYC P01106 1/20 0.56
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
CNKSR1 Q969H4 1/20 0.53
GAA P10253 1/20 0.53
RECQL P46063 1/20 0.53
CASP6 P55212 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADH5 P11766 1/20 0.52

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
SCHEMBL242492 0.88 MEN1 (0.57) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL243813 0.87 MAPT (0.71) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL243782 0.86 ADH5 (0.69) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL12556740 0.85 MEN1 (0.54) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL247174 0.84 MAPT (0.61) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL243523 0.82 POLB (0.51) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL243935 0.82 ADH5 (0.70) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL240962 0.81 POLB (0.50) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL246638 0.81 ADH5 (0.79) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL1903643 0.81 MEN1 (1.00) MEN1KMT2APOLBMAPTKDM4E

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 20 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
WO-2013006658-A1 TREATMENT OF ACETAMINOPHEN-INDUCED LIVER DAMAGE BY THE ADMINISTRATION OF MODULATORS OF NITRIC OXIDE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-01-10 WO 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 MEN1 4465/4885KMT2A 3410/4885POLB 3260/4885
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MEN1 4582/4885KMT2A 3634/4885POLB 1032/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MEN1 4582/4885KMT2A 3634/4885POLB 1032/4885

“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.