SCHEMBL3578136

SCHEMBL3578136

CCOC(=O)c1cc2cc(OC)ccc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.54
CCR2 P41597 3/20 0.52
F10 P00742 2/20 0.51
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL6780431 0.90 ABCB11 (0.51) PPARGCCR2F10NOD2NOD1
SCHEMBL12930106 0.89 NOD2 (0.58) PPARGCCR2F10NOD2NOD1
SCHEMBL4655319 0.88 CCR2 (0.67) PPARGCCR2
SCHEMBL1054163 0.87 NOD2 (0.55) PPARGCCR2F10NOD2NOD1
SCHEMBL3571653 0.87 NOD2 (0.67) PPARGF10NOD2NOD1
SCHEMBL925921 0.86 F10 (0.51) PPARGCCR2F10NOD2NOD1
SCHEMBL9622481 0.85 NOD2 (0.64) CCR2F10NOD2NOD1MAPT
SCHEMBL3979074 0.84 F10 (0.52) PPARGCCR2F10NOD2NOD1
SCHEMBL15304629 0.84 F10 (0.48) PPARGCCR2F10NOD2NOD1
SCHEMBL12930102 0.83 NOD2 (0.58) PPARGCCR2F10NOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781477-B2 Therapeutic use of N-(1H-Indolyl)-1H-indole-2-carboxamide derivatives SANOFI-AVENTIS (FR) 2010-08-24 US disclosed
US-20090286846-A1 Therapeutic use of N-(1H-Indolyl)-1H-indole-2-carboxamide derivatives SANOFI-AVENTIS (FR) 2009-11-19 US disclosed
US-7582671-B2 Therapeutic use of N-(1H-indolyl)-1H-indole-2-carboxamide derivatives SANOFI-AVENTIS (FR) 2009-09-01 US disclosed
US-20080227843-A1 THERAPEUTIC USE OF N-(1H-INDOLYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES SANOFI-AVENTIS (FR) 2008-09-18 US disclosed
US-7384969-B2 N-(1H-indolyl)-1H-indole-2-carboxamide derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2008-06-10 US disclosed
US-20070149602-A1 N-(1H-INDOLYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 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-20070149602-A1 N-(1H-INDOLYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE IDO1, IDO2, NPY5R PPARG 2147/4885CCR2 631/4885F10 1655/4885
US-20080227843-A1 THERAPEUTIC USE OF N-(1H-INDOLYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES NPY5R, TPH2, TPH1 PPARG 1964/4885CCR2 1264/4885F10 1905/4885
US-20090286846-A1 Therapeutic use of N-(1H-Indolyl)-1H-indole-2-carboxamide derivatives NPY5R, TPH2, TPH1 PPARG 1964/4885CCR2 1264/4885F10 1905/4885

“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.