SCHEMBL1837557

SCHEMBL1837557

CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C#N)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
TP53 P04637 3/20 0.47
MYC P01106 1/20 0.43
POLB P06746 3/20 0.42
KDM1A O60341 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
F2 P00734 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL12556857 0.92 POLB (0.48) MAPTALDH1A1KDM4ETP53MYC
SCHEMBL12590171 0.83 MAPT (0.45) MAPTALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL241445 0.81 MAPT (0.64) MAPTALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL1837251 0.80 MAPT (0.67) MAPTALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL245326 0.77 MAPT (0.64) MAPTALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL244215 0.75 MAPT (0.72) MAPTALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL1837796 0.74 MAPT (0.48) MAPTALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL1837441 0.72 MAPT (0.52) MAPTALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL1826897 0.71 ADH5 (0.54) MAPTALDH1A1KDM4EL3MBTL1PTGS1
SCHEMBL15714452 0.71 MAPT (0.82) MAPTALDH1A1KDM4EL3MBTL1PTGS1

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 10 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-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-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 MAPT 3482/4885ALDH1A1 449/4885KDM4E 1572/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885ALDH1A1 449/4885KDM4E 1572/4885

“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.