SCHEMBL607429

SCHEMBL607429

CC(=O)OCc1cccc(Br)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CA2 P00918 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
NPC1 O15118 1/20 0.39
CYP3A4 P08684 2/20 0.38
PPARG P37231 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5936403 0.91 ALDH1A1 (0.52) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL777869 0.85 MAPT (0.57) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL31554190 0.85 MAPT (0.57) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL8792713 0.84 KDM4E (0.50) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL27721750 0.84 ALDH1A1 (0.46) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL28097007 0.84 ALDH1A1 (0.46) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL16752332 0.84 ALDH1A1 (0.46) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL1153546 0.83 MAPT (0.41) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL13098120 0.83 ALDH1A1 (0.44) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL28795747 0.83 ALDH1A1 (0.44) ALDH1A1MAPTRAB9APOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
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-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 US disclosed
US-8604023-B2 1,4-benzodiazepinone compounds and their use in treating cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-12-10 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
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-09-13 US disclosed
EP-2470020-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME The Regents of the University of Michigan (US) 2012-07-04 EP 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-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-19 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
WO-2011035124-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-03-24 WO disclosed
WO-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 WO disclosed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO 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

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

For each of this compound's patents that has machine-readable text (5 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 ALDH1A1 373/4885MAPT 1814/4885RAB9A 2677/4885
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B ALDH1A1 325/4885MAPT 1851/4885RAB9A 2896/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB ALDH1A1 373/4885MAPT 1814/4885RAB9A 2677/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB ALDH1A1 373/4885MAPT 1814/4885RAB9A 2677/4885
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME TPH1, GABBR1, RORC ALDH1A1 344/4885MAPT 3298/4885RAB9A 3590/4885

“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.