SCHEMBL2891109

SCHEMBL2891109

O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2ccc(C(F)(F)F)cc2n1Cc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.44
TRPV1 Q8NER1 2/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CCR2 P41597 1/20 0.40
STAT3 P40763 1/20 0.40
POLB P06746 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL2895000 0.94 PPARG (0.44) PPARGTRPV1MAPTKDM4ETDP1
SCHEMBL2899203 0.91 KDM4E (0.47) PPARGMAPTKDM4ETDP1L3MBTL1
SCHEMBL941019 0.89 DGAT1 (0.40) TRPV1RAF1BRAFGRIN1GRIN2B
SCHEMBL2895761 0.88 F10 (0.43) TRPV1CCR2MAOB
SCHEMBL940147 0.88 PPARG (0.46) PPARGTRPV1MAPTKDM4ERAF1
SCHEMBL1099691 0.88 TRPV1 (0.43) PPARGTRPV1MAPTKDM4ETDP1
SCHEMBL1100721 0.86 PPARG (0.45) PPARGTRPV1MAPTKDM4ERAF1
SCHEMBL939898 0.85 ECE1 (0.40) TRPV1RAF1BRAFGRIN1GRIN2B
SCHEMBL9104157 0.85 PPARG (0.45) PPARGTRPV1MAPTKDM4ERAF1
SCHEMBL1100633 0.85 RAF1 (0.43) PPARGTRPV1MAPTKDM4ERAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586573-B2 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI (FR) 2013-11-19 US disclosed
US-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-11-11 US disclosed
US-7786104-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-31 US disclosed
EP-2049525-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2009-12-30 EP disclosed
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-06-18 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-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 PPARG 1669/4885TRPV1 1762/4885MAPT 2841/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 PPARG 1669/4885TRPV1 1762/4885MAPT 2841/4885

“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.