SCHEMBL6851387

SCHEMBL6851387

COC(=O)c1c(-c2ccc(C(=O)N(C)C3CCCC3)cc2)c2ccccc2n1Cc1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.49
PPARG P37231 6/20 0.48
PTAFR P25105 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
F10 P00742 2/20 0.43
TSPO P30536 4/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EDNRB P24530 1/20 0.42
EDNRA P25101 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
SCHEMBL6851233 0.79 MAPT (0.53) PPARGF10HDAC1HDAC6EDNRB
SCHEMBL6851276 0.77 EDNRB (0.52) MAPK8PPARGKMT2ATSPOEDNRB
SCHEMBL6855189 0.77 DRD4 (0.53) PPARGF10HDAC1HDAC6EDNRB
SCHEMBL6858332 0.76 PPARG (0.50) MAPK8PPARGKMT2AF10TSPO
SCHEMBL4711394 0.73 MAPK8 (0.73) MAPK8
SCHEMBL6857506 0.73 EDNRB (0.52) MAPK8PPARGEDNRBEDNRA
SCHEMBL6858283 0.72 MAPK8 (0.45) MAPK8PPARGTSPOEDNRBEDNRA
SCHEMBL6851257 0.71 PLA2G2A (0.53) MAPK8PPARGKMT2ATSPOEDNRB
SCHEMBL6858292 0.71 MAPT (0.49) MAPK8MEN1KMT2AF10
SCHEMBL6858393 0.71 KMT2A (0.51) MAPK8PPARGKMT2AF10TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 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 (1 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD MAPK8 2081/4885PPARG 1/4885PTAFR 28/4885

“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.