SCHEMBL1382591

SCHEMBL1382591

CC(C)(C)NC(=O)c1ccccc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
METAP2 P50579 1/20 0.42
CYP2C9 P11712 1/20 0.42
APEX1 P27695 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL6748722 0.90 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL29643318 0.82 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL14357551 0.82 ALDH1A1 (0.56) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL10741701 0.81 KDM4E (0.45) MAPTKMT2AALDH1A1KDM4ETSHR
SCHEMBL1382593 0.81 KDM4E (0.60) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL7757842 0.78 KDM4E (0.59) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL162827 0.78 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL5230905 0.78 HPGD (0.56) MAPTMEN1KMT2ASMN1; SMN2MAOA
SCHEMBL4666198 0.78 GAA (0.59) MAPTALDH1A1KDM4ETSHRHPGD
SCHEMBL30064209 0.78 GAA (0.59) MAPTALDH1A1KDM4ETSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
JP-4703649-B2 2011-06-15 JP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
CN-117301408-A Injection molding preparation method of flow battery graphite composite bipolar plate 中国机械总院集团北京机电研究所有限公司 2023-12-29 CN disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
US-5889181-A REDUCING NITRO GROUP TO AMINE; DIAZOTIZATION; SULPHONATION;HYDROLYSIS UNIVERSITY OF SHERBROOKE (CA) 1999-03-30 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 (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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAPT 2014/4885MEN1 4434/4885KMT2A 4657/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAPT 2014/4885MEN1 4434/4885KMT2A 4657/4885

“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.