SCHEMBL12099271

SCHEMBL12099271

Cc1cc(C2=N[C@@H](Cc3ccccc3Cl)C(=O)Nc3ccc(Cl)cc32)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.57
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
ALB P02768 1/20 0.48
KMT2A Q03164 1/20 0.48
PGR P06401 1/20 0.48
CHRM1 P11229 2/20 0.46

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
SCHEMBL12099162 1.00 CCKBR (0.57) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL12099159 1.00 CCKBR (0.57) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL12099260 0.89 CCKBR (0.53) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL1515162 0.88 CCKBR (0.50) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL12099087 0.88 CCKBR (0.50) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL11964637 0.88 CCKBR (0.61) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL2265093 0.88 CCKBR (0.61) CCKBRLMNAMEN1ALBKMT2A
SCHEMBL12099099 0.87 CCKBR (0.53) CCKBRLMNAPGR
SCHEMBL1514989 0.87 CCKBR (0.53) CCKBRLMNAPGR
SCHEMBL1515087 0.87 CCKBR (0.52) CCKBRLMNAMEN1ALBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8673897-B2 Benzodiazepinone compounds and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-18 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
US-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-09-13 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

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

For each of this compound's patents that has machine-readable text (1 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-20120232067-A1 BENZODIAZEPINONE COMPOUNDS AND METHODS OF TREATMENT USING SAME TPH1, GABBR1, RORC CCKBR 748/4885LMNA 4326/4885MEN1 2715/4885

“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.