SCHEMBL1835451

SCHEMBL1835451

CCOC(=O)CCc1ccc(-c2ccc(-n3ccnc3)cc2)n1-c1ccc(CN)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 4/20 0.63
CYP2C19 P33261 2/20 0.63
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
KMT2A Q03164 1/20 0.41
TBXAS1 P24557 2/20 0.38
POLB P06746 4/20 0.38
MYC P01106 1/20 0.37
MAOB P27338 1/20 0.36
TP53 P04637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE3B Q13370 1/20 0.34

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
SCHEMBL245189 0.90 ADH5 (0.78) ADH5CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL244390 0.88 ADH5 (0.81) ADH5CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL1835338 0.86 ADH5 (0.60) ADH5CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL1838531 0.79 ADH5 (0.51) ADH5CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL240913 0.79 ADH5 (0.80) ADH5CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL25589009 0.78 ADH5 (0.88) ADH5CYP2C19MAPTSMN1; SMN2MEN1
SCHEMBL246638 0.78 ADH5 (0.79) ADH5CYP2C19MAPTSMN1; SMN2KDM4E
SCHEMBL1838655 0.78 ADH5 (0.65) ADH5CYP2C19MAPTSMN1; SMN2KDM4E
N6022 SCHEMBL29502874 0.78 ADH5 (1.00) ADH5CYP2C19MAPTSMN1; SMN2KDM4E
N6022 SCHEMBL244480 0.78 ADH5 (1.00) ADH5CYP2C19MAPTSMN1; SMN2KDM4E

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 13 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 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-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
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
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO 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 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.