SCHEMBL10149097

SCHEMBL10149097

CC1N=C(c2ccc(O)cc2)c2cc(Cl)ccc2N(Cc2ccc3ccccc3c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.45
PDE3A Q14432 1/20 0.45
TP53 P04637 6/20 0.44
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
CTRB1 P17538 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
UTS2R Q9UKP6 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
SCHEMBL9059857 0.83 OPRK1 (0.47) LMNAPOLBMAPTOPRK1PDE3A
SCHEMBL21272260 0.82 LMNA (0.53) LMNAPOLBMAPTOPRK1PDE3A
SCHEMBL21272257 0.82 LMNA (0.53) LMNAPOLBMAPTOPRK1PDE3A
SCHEMBL29544459 0.80 OPRK1 (0.54) LMNAOPRK1PDE3AHTR2BPDE4D
SCHEMBL29410184 0.80 OPRK1 (0.54) LMNAOPRK1PDE3AHTR2BPDE4D
SCHEMBL1687457 0.80 OPRK1 (0.54) LMNAOPRK1PDE3AHTR2BPDE4D
SCHEMBL9061591 0.79 OPRK1 (0.44) LMNAPOLBMAPTOPRK1PDE3A
SCHEMBL6124975 0.79 HDAC3 (0.50) LMNAOPRK1PDE3A
SCHEMBL13948824 0.79 OPRK1 (0.51) LMNAPOLBMAPTOPRK1PDE3A
SCHEMBL5619577 0.78 HDAC3 (0.54) LMNAOPRK1PDE3ATP53HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 US disclosed
EP-2422788-A2 Benzodiazepines and compositions and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-29 EP disclosed
US-7994313-B2 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-09 US disclosed
US-20090253686-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-10-08 US disclosed
US-20080293700-A1 Compositions and Methods Relating to Novel Compounds and Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-11-27 US disclosed
US-20080293700-A1 Compositions and Methods Relating to Novel Compounds and Targets Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-11-27 US disclosed
WO-2007053193-A2 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 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-20080293700-A1 Compositions and Methods Relating to Novel Compounds and Targets Thereof BAX, BAD, GABRB3 LMNA 2518/4885POLB 2647/4885MAPT 1416/4885
US-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS GABRA5, GABRA3, GABRA6 LMNA 1390/4885POLB 3400/4885MAPT 365/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 LMNA 1390/4885POLB 3400/4885MAPT 365/4885
US-20090253686-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS GABRA5, GABRA3, GABRA6 LMNA 1390/4885POLB 3400/4885MAPT 365/4885

“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.