SCHEMBL10036740

SCHEMBL10036740

Cc1ccc(CN2C(=O)CN=C(Cl)c3cc(Cl)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.59
LMNA P02545 2/20 0.58
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.46
MAPT P10636 2/20 0.45
OPRK1 P41145 2/20 0.45
NR1I2 O75469 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
OPRM1 P35372 1/20 0.45
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
GAA P10253 2/20 0.43
TSPO P30536 1/20 0.43
HTR1A P08908 1/20 0.43
DRD3 P35462 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
GHSR Q92847 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
SCHEMBL608034 0.87 TP53 (0.53) TP53LMNAALDH1A1SMN1; SMN2PTGDR2
SCHEMBL14064651 0.81 TP53 (0.65) TP53LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL10036739 0.78 GAA (0.54) TP53LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL606235 0.76 LMNA (0.70) LMNAOPRK1GAATSPOKCNH2
SCHEMBL607167 0.75 TP53 (0.64) TP53LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL5349082 0.74 TP53 (0.84) TP53LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL5361219 0.72 TP53 (0.72) TP53LMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL30327555 0.72 TP53 (0.64) TP53LMNAPTGDR2MAPTOPRK1
SCHEMBL6525505 0.72 L3MBTL1 (0.55) ALDH1A1NPSR1PTGDR2MAPTGAA
SCHEMBL13627931 0.71 CA1 (0.56) TP53LMNAALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20120040971-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-02-16 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 (2 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 TP53 3879/4885LMNA 2002/4885ALDH1A1 373/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB TP53 3879/4885LMNA 2002/4885ALDH1A1 373/4885

“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.