SCHEMBL1622295

SCHEMBL1622295

Cc1ccc(-c2ccc(C(C)(C)C)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 1/20 0.44
PGR P06401 1/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKDC P78527 1/20 0.40
WRN Q14191 1/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL19735284 0.87 APP (0.48) KIF11NPC1RAB9AKDM4ETSHR
SCHEMBL13197642 0.85 TSHR (0.46) KIF11NPC1RAB9AKDM4ETSHR
SCHEMBL9927249 0.84 APP (0.48) NPC1RAB9AKDM4EPGRALDH1A1
SCHEMBL16546586 0.84 PGR (0.41) NPC1RAB9AKDM4EPGRALDH1A1
SCHEMBL13197653 0.84 TSHR (0.44) KIF11NPC1RAB9AKDM4ETSHR
SCHEMBL13197643 0.83 TSHR (0.43) KIF11NPC1RAB9AKDM4ETSHR
SCHEMBL12622623 0.82 KIF11 (0.53) KIF11PGRALDH1A1
SCHEMBL10300218 0.82 APP (0.46) NPC1RAB9AKDM4EPGRALDH1A1
SCHEMBL13424304 0.82 APP (0.46) NPC1RAB9AKDM4EPGRALDH1A1
SCHEMBL13197616 0.82 TSHR (0.42) KIF11NPC1RAB9AKDM4ETSHR

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 8 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-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 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 KIF11 4574/4885NPC1 2603/4885RAB9A 3739/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 KIF11 3565/4885NPC1 1087/4885RAB9A 2138/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 KIF11 4574/4885NPC1 2603/4885RAB9A 3739/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 KIF11 4574/4885NPC1 2603/4885RAB9A 3739/4885

“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.