SCHEMBL607431

SCHEMBL607431

CC(=O)OC(Br)c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 3/20 0.33
TSHR P16473 1/20 0.32
CYP26A1 O43174 1/20 0.32

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
SCHEMBL1153549 0.83 HTT (0.38) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL13027401 0.81 HTT (0.45) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL218138 0.81 HTT (0.45) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL4075794 0.80 CASP1 (0.41) ALDH1A1CYP3A4IDO1TDO2TSHR
SCHEMBL5351521 0.77 ALDH1A1 (0.36) HTTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1153651 0.77 CYP2C19 (0.37) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL777870 0.75 ALDH1A1 (0.55) ALDH1A1CYP3A4KMT2ACYP19A1TSHR
SCHEMBL28545488 0.74 ALDH1A1 (0.43) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL18663548 0.73 IDO1 (0.48) HTTCYP2C19CYP2C9ALDH1A1CYP3A4
SCHEMBL11358290 0.73 EIF2AK2 (0.33) TSHR

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 HTT 4639/4885CYP2C19 296/4885CYP2C9 827/4885
US-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B HTT 2586/4885CYP2C19 102/4885CYP2C9 272/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB HTT 4639/4885CYP2C19 296/4885CYP2C9 827/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB HTT 4639/4885CYP2C19 296/4885CYP2C9 827/4885
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME TPH1, GABBR1, RORC HTT 2433/4885CYP2C19 171/4885CYP2C9 465/4885

“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.