SCHEMBL10036738

SCHEMBL10036738

Cc1ccc(Cn2c(=O)oc(=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.55
ALDH1A1 P00352 2/20 0.53
MIF P14174 3/20 0.51
KMT2A Q03164 3/20 0.49
CD74 P04233 1/20 0.48
P2RX4 Q99571 1/20 0.47
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.42

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
SCHEMBL3929699 0.86 IDO1 (0.60) IDO1ALDH1A1MIFKMT2ACD74
SCHEMBL5535346 0.86 IDO1 (0.54) IDO1MIFKMT2ACD74P2RX4
SCHEMBL606151 0.86 IDO1 (0.51) IDO1ALDH1A1MIFKMT2ACD74
SCHEMBL30908758 0.86 IDO1 (0.51) IDO1ALDH1A1MIFKMT2ACD74
SCHEMBL5124040 0.82 MIF (0.71) ALDH1A1MIFKMT2ACD74P2RX4
SCHEMBL11996086 0.82 ALDH1A1 (0.69) IDO1ALDH1A1MIFKMT2ACD74
SCHEMBL1397544 0.81 PTGER4 (0.52) IDO1ALDH1A1HTTPOLBLMNA
SCHEMBL9047870 0.77 IDO1 (0.68) IDO1ALDH1A1MIFKMT2AP2RX4
SCHEMBL3932904 0.76 IDO1 (0.57) IDO1MIFKMT2ACD74MEN1
SCHEMBL6232591 0.76 NOS3 (0.41) IDO1ALDH1A1KMT2APOLBLMNA

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 IDO1 243/4885ALDH1A1 373/4885MIF 1887/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB IDO1 243/4885ALDH1A1 373/4885MIF 1887/4885

“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.