SCHEMBL1623766

SCHEMBL1623766

COc1cncc(-c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.58
CYP11B2 P19099 11/20 0.58
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
KIF11 P52732 2/20 0.50
XDH P47989 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALOX5AP P20292 1/20 0.48
MAP4K4 O95819 1/20 0.45
TGFBR1 P36897 1/20 0.43

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
SCHEMBL21960161 0.83 CYP11B1 (0.73) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL15394522 0.82 KIF11 (0.54) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL9966245 0.82 MKNK1 (0.52) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL10154066 0.81 KIF11 (0.60) CYP1A1CYP1B1KIF11XDH
SCHEMBL10154080 0.81 KIF11 (0.60) CYP1A1CYP1B1KIF11XDH
SCHEMBL5702666 0.81 CYP1A1 (0.74) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL14848469 0.81 CYP11B1 (0.46) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL15296276 0.80 CYP11B1 (0.64) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL968951 0.79 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL970139 0.79 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9

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-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-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 CYP11B1 73/4885CYP11B2 71/4885CYP1A2 755/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 CYP11B1 147/4885CYP11B2 222/4885CYP1A2 2496/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 CYP11B1 73/4885CYP11B2 71/4885CYP1A2 755/4885
US-20120088757-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 CYP11B1 73/4885CYP11B2 71/4885CYP1A2 755/4885

“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.