SCHEMBL1900966

SCHEMBL1900966

CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(O)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
MAPT P10636 10/20 0.67
POLB P06746 2/20 0.67
MYC P01106 1/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.57
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL12556860 0.92 MAPT (0.68) MEN1KMT2AMAPTPOLBMYC
SCHEMBL1837251 0.89 MAPT (0.67) MEN1KMT2AMAPTPOLBMYC
SCHEMBL1905681 0.88 MEN1 (0.60) MEN1KMT2AMAPTPOLBMYC
SCHEMBL1903643 0.83 MEN1 (1.00) MEN1KMT2AMAPTPOLBMYC
SCHEMBL1903075 0.82 MEN1 (0.79) MEN1KMT2AMAPTPOLBMYC
SCHEMBL6287858 0.81 MEN1 (0.70) MEN1KMT2AMAPTPOLBMYC
SCHEMBL6279450 0.79 MEN1 (0.65) MEN1KMT2AMAPTPOLBMYC
SCHEMBL1840616 0.78 POLB (0.51) MEN1KMT2AMAPTPOLBMYC
SCHEMBL7216760 0.76 PTGS2 (0.59) KDM4EALDH1A1PTGS2
SCHEMBL15714466 0.76 MYC (1.00) MEN1KMT2AMAPTPOLBMYC

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 MEN1 4582/4885KMT2A 3634/4885MAPT 3482/4885
US-20110136881-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MEN1 4582/4885KMT2A 3634/4885MAPT 3482/4885
US-20140194481-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR MEN1 4582/4885KMT2A 3634/4885MAPT 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.