SCHEMBL605629

SCHEMBL605629

COc1ccc(CN2C(=O)C(Cc3ccc(C(C)C)cc3)N=C(c3ccc(O)cc3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.42
HDAC3 O15379 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
BDKRB2 P30411 3/20 0.40
BRD2 P25440 2/20 0.39
LMNA P02545 2/20 0.39
HDAC1 Q13547 2/20 0.39
SMCHD1 A6NHR9 1/20 0.39
MYO1G B0I1T2 1/20 0.39
AIP O00170 1/20 0.39
AP3B1 O00203 1/20 0.39
PSMD11 O00231 1/20 0.39
CDC7 O00311 1/20 0.39
SAP18 O00422 1/20 0.39
KPNA3 O00505 1/20 0.39
PPP6C O00743 1/20 0.39
TCERG1 O14776 1/20 0.39
UBE2L6 O14933 1/20 0.39
PPP1R12A O14974 1/20 0.39
U2SURP O15042 1/20 0.39

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
SCHEMBL605658 0.91 BRD4 (0.41) BRD4BRD2LMNAHDAC1SMCHD1
SCHEMBL607295 0.90 BRD4 (0.44) BRD4HDAC3HDAC6BDKRB2BRD2
SCHEMBL607650 0.88 BRD4 (0.44) BRD4HDAC3HDAC6BDKRB2BRD2
SCHEMBL607671 0.87 OPRK1 (0.47) BRD4LMNAOPRK1PDE3A
SCHEMBL609055 0.85 BRD4 (0.45) BRD4BRD2LMNAHDAC1SMCHD1
SCHEMBL605960 0.85 OPRK1 (0.51) HDAC3HDAC6LMNAKCNH2OPRK1
SCHEMBL10193350 0.85 BRD4 (0.48) BRD4BRD2LMNAHDAC1SMCHD1
SCHEMBL606257 0.83 BRD4 (0.43) BRD4BDKRB2BRD2LMNAHDAC1
SCHEMBL5619577 0.83 HDAC3 (0.54) HDAC3HDAC6BDKRB2LMNAHDAC1
SCHEMBL607146 0.83 BDKRB2 (0.43) BRD4BDKRB2BRD2LMNAHDAC1

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
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
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 disclosed
US-8461153-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-11 US disclosed
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-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-8188072-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-29 US disclosed
US-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-16 US disclosed
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 disclosed
US-7851465-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-12-14 US disclosed
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 disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB BRD4 109/4885HDAC3 596/4885HDAC6 714/4885
US-20080269194-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 BRD4 87/4885HDAC3 316/4885HDAC6 735/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB BRD4 109/4885HDAC3 596/4885HDAC6 714/4885
US-20110195959-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 BRD4 87/4885HDAC3 316/4885HDAC6 735/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB BRD4 109/4885HDAC3 596/4885HDAC6 714/4885
US-20120289498-A1 Compositions And Methods Relating To Novel Compounds And Targets Thereof BAX, BAD, BAK1 BRD4 87/4885HDAC3 316/4885HDAC6 735/4885

“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.