SCHEMBL6851392

SCHEMBL6851392

CCOC(=O)c1c(C=O)c2ccccc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
PPARG P37231 7/20 0.51
MAPT P10636 2/20 0.50
MAPK10 P53779 1/20 0.50
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
PSMD14 O00487 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL6857667 0.89 MEN1 (0.49) MEN1KMT2APPARGMAPTMAPK10
SCHEMBL6856138 0.85 MAPT (0.51) MEN1KMT2APPARGMAPTMAPK10
SCHEMBL6855301 0.84 KMT2A (0.62) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6858315 0.81 GRM5 (0.49) MEN1KMT2APPARGMAPTMAPK10
SCHEMBL6851282 0.81 ALDH1A1 (0.48) MEN1KMT2APPARGMAPTMAPK10
SCHEMBL25293768 0.81 KMT2A (0.69) MEN1KMT2AMAPTMAPK10ALDH1A1
SCHEMBL5216641 0.81 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6857727 0.81 PPARG (0.72) KMT2APPARGMAPTMAPK10SMN1; SMN2
SCHEMBL6858320 0.81 PPARG (0.49) MEN1KMT2APPARGMAPTMAPK10
SCHEMBL24482669 0.80 PPARG (0.55) PPARGMAPTMAPK10KDM4EF10

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-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP 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
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO 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 MEN1 3809/4885KMT2A 2753/4885PPARG 1/4885

“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.