SCHEMBL2264477

SCHEMBL2264477

CCc1cccc(CC2N=C(c3ccc(O)cc3)c3cc(Cl)ccc3NC2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.57
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
ALB P02768 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRM1 P11229 3/20 0.48
TRPV1 Q8NER1 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
SCHEMBL607124 0.94 CCKBR (0.56) CCKBRMEN1LMNAALBKMT2A
SCHEMBL2268056 0.91 CCKBR (0.55) CCKBRMEN1LMNAALBKMT2A
SCHEMBL2263034 0.90 CCKBR (0.57) CCKBRMEN1LMNAALBKMT2A
SCHEMBL3241497 0.90 CCKBR (0.55) CCKBRMEN1LMNAALBKMT2A
SCHEMBL11964614 0.89 CCKBR (0.68) CCKBRMEN1LMNAALBKMT2A
SCHEMBL605639 0.89 CCKBR (0.55) CCKBRMEN1LMNAALBKMT2A
SCHEMBL608157 0.89 CCKBR (0.52) CCKBRMEN1LMNAALBKMT2A
SCHEMBL15826787 0.89 CCKBR (0.52) CCKBRMEN1LMNAALBKMT2A
SCHEMBL2267854 0.88 CCKBR (0.57) CCKBRMEN1LMNAALBKMT2A
SCHEMBL4101493 0.88 CCKBR (0.53) CCKBRMEN1LMNAALBKMT2A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US claimed
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US claimed
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-11 US claimed
EP-2139331-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF The Regents of the University of Michigan (US) 2010-01-06 EP claimed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US claimed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US claimed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 WO claimed
EP-2139331-B1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF UNIV MICHIGAN (US) 2013-02-20 EP disclosed
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-11-15 US disclosed
US-8242109-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-14 US disclosed
US-8242109-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-14 US disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-10-30 US disclosed
WO-2008112553-A1 COMPOSITIONS AND METHODS RELATING TO NOVEL COMPOUNDS AND TARGETS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-18 WO disclosed
US-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-23 US disclosed
US-6875770-B2 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-04-05 US disclosed
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-08 US disclosed
EP-1086950-A1 HETEROCYCLIC INDOLE DERIVATIVES AND MONO- OR DIAZAINDOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-28 EP 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 (7 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-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 CCKBR 416/4885MEN1 4283/4885LMNA 2006/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB CCKBR 1128/4885MEN1 4607/4885LMNA 2002/4885
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 CCKBR 416/4885MEN1 4283/4885LMNA 2006/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB CCKBR 1128/4885MEN1 4607/4885LMNA 2002/4885
US-20050137202-A1 Indole derivative having heterocycle and mono- or diazaindole derivative PTGS2, IDO2, IDO1 CCKBR 655/4885MEN1 1965/4885LMNA 4595/4885
US-20040067964-A1 Indole derivative having heterocycle and mono- or diazaindole derivative IDO1, PTGS1, IDO2 CCKBR 738/4885MEN1 1682/4885LMNA 4535/4885
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 CCKBR 416/4885MEN1 4283/4885LMNA 2006/4885

“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.