SCHEMBL2117832

SCHEMBL2117832

COCCNc1ccc(C2=NC(Cc3ccccc3Cl)C(=O)N(Cc3ccc(OC)cc3)c3ccc(Cl)cc32)cn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.38
MAPK8 P45983 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
TP53 P04637 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2119736 1.00 BRD4 (0.38) BRD4MAPK8CTSLCTSBTP53
SCHEMBL2602010 0.96 BRD4 (0.39) BRD4MEN1KMT2ALMNA
SCHEMBL2602011 0.96 BRD4 (0.39) BRD4MEN1KMT2ALMNA
SCHEMBL2119892 0.88 BRD4 (0.43) BRD4CTSLCTSBLMNA
SCHEMBL2602023 0.87 BRD4 (0.40) BRD4TP53MEN1KMT2ATSHR
SCHEMBL2264509 0.87 BRD4 (0.44) BRD4TP53MEN1KMT2ATSHR
SCHEMBL2119819 0.86 TSHR (0.39) BRD4TP53MEN1KMT2ATSHR
SCHEMBL2119771 0.86 BRD4 (0.40) BRD4CTSLCTSBTP53MEN1
SCHEMBL2117354 0.85 TSHR (0.40) BRD4TP53MEN1KMT2ATSHR
SCHEMBL14064652 0.84 BRD4 (0.44) BRD4TP53MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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-20120094982-A1 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER HTR4, HTR1A, HTR3B BRD4 39/4885MAPK8 4447/4885CTSL 4843/4885

“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.