SCHEMBL1623847

SCHEMBL1623847

O=C1NC(Cc2ccc(-c3ccccc3)cc2)C(=O)Nc2ccc(Cl)cc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
ALB P02768 1/20 0.48
KMT2A Q03164 1/20 0.48
CCKBR P32239 4/20 0.46
ROCK1 Q13464 1/20 0.46
CHRM1 P11229 1/20 0.46
PGR P06401 1/20 0.44
MGAT2 Q10469 1/20 0.43
CNR1 P21554 1/20 0.42
NTSR1 P30989 1/20 0.42
OPRK1 P41145 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL6635223 0.93 CCKBR (0.47) MEN1LMNAALBKMT2ACCKBR
SCHEMBL6620939 0.93 CCKBR (0.47) MEN1LMNAALBKMT2ACCKBR
SCHEMBL14071665 0.88 ROCK2 (0.62) ROCK2MEN1LMNAALBKMT2A
SCHEMBL13551440 0.88 ROCK2 (0.50) ROCK2MEN1LMNAALBKMT2A
SCHEMBL13551444 0.88 ROCK2 (0.43) ROCK2MEN1LMNAALBKMT2A
SCHEMBL6616775 0.88 MAOA (0.51) ROCK2MEN1KMT2APGRMGAT2
SCHEMBL13551435 0.86 ROCK2 (0.48) ROCK2MEN1LMNAALBKMT2A
SCHEMBL13551439 0.86 ROCK2 (0.46) ROCK2MEN1LMNAALBKMT2A
SCHEMBL15293415 0.86 MGAT2 (0.43) ROCK2MGAT2
SCHEMBL13386677 0.85 ROCK2 (0.43) ROCK2MEN1LMNAALBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-04-12 US disclosed
US-8088759-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-03 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 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 (4 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-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 ROCK2 2058/4885MEN1 3905/4885LMNA 3184/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 ROCK2 1494/4885MEN1 3855/4885LMNA 2704/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 ROCK2 2058/4885MEN1 3905/4885LMNA 3184/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 ROCK2 2058/4885MEN1 3905/4885LMNA 3184/4885

“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.