SCHEMBL1622162

SCHEMBL1622162

COc1ncc(-c2ccc(C(C)(C)C)cc2)c(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.52
QPCTL Q9NXS2 1/20 0.52
NPSR1 Q6W5P4 3/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
METAP2 P50579 1/20 0.42
DGAT1 O75907 2/20 0.42
HSD11B1 P28845 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.41
TDO2 P48775 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
MAPT P10636 1/20 0.39
PPARD Q03181 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL16104488 0.82 QPCT (0.56) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL29809511 0.81 HSD11B1 (0.57) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL4743846 0.81 HSD11B1 (0.57) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL3767625 0.80 QPCT (0.54) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL21180008 0.78 QPCT (0.52) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL2759587 0.78 QPCT (0.52) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL2034545 0.78 QPCT (0.51) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL15445882 0.76 PPARD (0.46) QPCTQPCTLNPSR1ATMMEN1
SCHEMBL1623866 0.76 KIF11 (0.48) NPSR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3564079 0.76 QPCT (0.53) QPCTQPCTLNPSR1ATMMEN1

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 7 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-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 QPCT 2948/4885QPCTL 4552/4885NPSR1 238/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 QPCT 1545/4885QPCTL 3775/4885NPSR1 4777/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 QPCT 2948/4885QPCTL 4552/4885NPSR1 238/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 QPCT 2948/4885QPCTL 4552/4885NPSR1 238/4885

“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.