SCHEMBL604600

SCHEMBL604600

COc1ccc(C2=NC(Cc3cc(C(C)C)ccc3C(C)C)C(=O)N(C)c3ccc(Cl)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.43
LMNA P02545 2/20 0.43
PDE3A Q14432 1/20 0.43
BRD4 O60885 16/20 0.41
PDE4D Q08499 2/20 0.40
HTR2B P41595 1/20 0.40
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
BRD2 P25440 2/20 0.39
SMCHD1 A6NHR9 1/20 0.39
MYO1G B0I1T2 1/20 0.39
AIP O00170 1/20 0.39
AP3B1 O00203 1/20 0.39
PSMD11 O00231 1/20 0.39
CDC7 O00311 1/20 0.39
SAP18 O00422 1/20 0.39
KPNA3 O00505 1/20 0.39
PPP6C O00743 1/20 0.39
TCERG1 O14776 1/20 0.39
UBE2L6 O14933 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
SCHEMBL4104960 0.90 OPRK1 (0.45) OPRK1LMNAPDE3ABRD4PDE4D
SCHEMBL607674 0.90 OPRK1 (0.47) OPRK1LMNAPDE3ABRD4PDE4D
SCHEMBL607671 0.89 OPRK1 (0.47) OPRK1LMNAPDE3ABRD4PDE4D
SCHEMBL605658 0.86 BRD4 (0.41) LMNABRD4BRD2SMCHD1MYO1G
SCHEMBL607434 0.85 OPRK1 (0.46) OPRK1LMNAPDE3ABRD4PDE4D
SCHEMBL3238485 0.83 OPRK1 (0.47) OPRK1LMNAPDE3ABRD4PDE4D
SCHEMBL3226749 0.83 OPRK1 (0.45) OPRK1LMNAPDE3ABRD4PDE4D
SCHEMBL2263652 0.82 OPRK1 (0.53) OPRK1LMNAPDE3ABRD4PDE4D
SCHEMBL608046 0.82 CCKBR (0.52) LMNA
SCHEMBL10193352 0.81 LMNA (0.55) OPRK1LMNAPDE3ABRD4PDE4D

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
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-8461153-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-11 US disclosed
US-8188072-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-29 US disclosed
US-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-16 US disclosed
EP-2217576-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS The Regents of the University of Michigan (US) 2010-08-18 EP disclosed
WO-2009061916-A2 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-14 WO disclosed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 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 (3 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-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB OPRK1 118/4885LMNA 2002/4885PDE3A 2780/4885
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB OPRK1 118/4885LMNA 2002/4885PDE3A 2780/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB OPRK1 118/4885LMNA 2002/4885PDE3A 2780/4885

“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.