SCHEMBL4639017

SCHEMBL4639017

CC(=O)Nc1ccc(COc2cccc(N)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAOB P27338 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
APP P05067 1/20 0.57
LMNA P02545 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
AHR P35869 1/20 0.50
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOA P21397 2/20 0.48

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
SCHEMBL4639013 0.84 MEN1 (0.63) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL18614358 0.84 MEN1 (0.61) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL13462941 0.84 MEN1 (0.61) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL10440232 0.84 RXRA (0.63) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL13439840 0.82 MEN1 (0.58) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL2962767 0.82 KMT2A (0.52) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL463887 0.80 MTNR1B (0.71) MEN1KMT2AMAOBLMNAALDH1A1
SCHEMBL13192696 0.80 MTNR1B (0.62) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL15474257 0.80 MTNR1A (0.62) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL10599166 0.80 LMNA (0.67) MEN1KMT2AMAOBNPC1RAB9A

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 14 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
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
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

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 MEN1 4434/4885KMT2A 4657/4885MAOB 654/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MEN1 4434/4885KMT2A 4657/4885MAOB 654/4885

“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.