SCHEMBL1904751

SCHEMBL1904751

COc1ccc(-c2ccc(CCC#N)n2-c2ccc(C(=O)OC(C)(C)C)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
TP53 P04637 4/20 0.43
KDM4E B2RXH2 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
F2 P00734 1/20 0.42
ATM Q13315 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
ADH5 P11766 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ELANE P08246 1/20 0.35
GAA P10253 3/20 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
SCHEMBL1898870 0.87 MAPT (0.58) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL1903922 0.86 MAPT (0.48) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL1903848 0.81 MAPT (0.41) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL1903181 0.80 MAPT (0.40) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL1950412 0.75 MEN1 (0.52) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL1907171 0.74 POLB (0.46) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL1905617 0.74 ADH5 (0.41) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL242209 0.73 ADH5 (0.67) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL3257284 0.72 MAPT (0.46) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL244757 0.72 MAPT (0.69) MAPTTP53KDM4EMEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846736-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20130253024-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8470857-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
EP-2318007-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
EP-2318007-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP disclosed
WO-2010019905-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 (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-20130253024-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885TP53 2292/4885KDM4E 1572/4885
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885TP53 2292/4885KDM4E 1572/4885
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MAPT 3482/4885TP53 2292/4885KDM4E 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.