SCHEMBL4101781

SCHEMBL4101781

CC(C)c1ccccc1CC1N=C(c2ccc(O)cc2)c2cc(Cl)ccc2NC1=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.61
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
ALB P02768 1/20 0.53
KMT2A Q03164 1/20 0.53
CHRM1 P11229 3/20 0.53
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL11964628 1.00 CCKBR (0.61) CCKBRMEN1LMNAALBKMT2A
SCHEMBL3234690 0.92 CCKBR (0.55) CCKBRMEN1LMNAALBKMT2A
SCHEMBL3229900 0.91 CCKBR (0.61) CCKBRMEN1LMNAALBKMT2A
SCHEMBL3244364 0.90 CCKBR (0.59) CCKBRMEN1LMNAALBKMT2A
SCHEMBL4100434 0.89 CCKBR (0.54) CCKBRMEN1LMNAALBKMT2A
SCHEMBL608045 0.89 CCKBR (0.54) CCKBRMEN1LMNAALBKMT2A
SCHEMBL11982411 0.89 CCKBR (0.46) CCKBRMEN1LMNAALBKMT2A
SCHEMBL2264610 0.89 CCKBR (0.60) CCKBRMEN1LMNAALBKMT2A
SCHEMBL607277 0.88 CCKBR (0.59) CCKBRMEN1LMNAALBKMT2A
SCHEMBL11964637 0.88 CCKBR (0.61) CCKBRMEN1LMNAALBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB CCKBR 1128/4885MEN1 4607/4885LMNA 2002/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB CCKBR 1128/4885MEN1 4607/4885LMNA 2002/4885

“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.