SCHEMBL2891320

SCHEMBL2891320

COC(=O)c1cnc(N2CCCC2)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
MAPT P10636 1/20 0.47
LCAT P04180 1/20 0.46
CNR2 P34972 1/20 0.44
SMO Q99835 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
CFTR P13569 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
OPRK1 P41145 2/20 0.39
BRAF P15056 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL23753973 0.84 MAPT (0.45) ARMAPTLCATCFTROPRK1
SCHEMBL1100173 0.83 AR (0.55) ARLCATCNR2SMOKDM4E
SCHEMBL15923630 0.81 AR (0.51) ARLCATCNR2SMOKDM4E
SCHEMBL3866271 0.79 HRH3 (0.51) LCAT
SCHEMBL29483816 0.78 NPC1 (0.45) MAPTSMOKDM4EOPRK1NPC1
SCHEMBL25262292 0.78 NPC1 (0.45) MAPTSMOKDM4EOPRK1NPC1
SCHEMBL10279151 0.77 MAPT (0.40) MAPTLCATSMOKDM4ELMNA
SCHEMBL12302078 0.77 MAPT (0.55) MAPTKDM4EALDH1A1CFTRNPC1
SCHEMBL794399 0.77 LCAT (0.40) MAPTLCATSMOKDM4ELMNA
SCHEMBL9289648 0.76 MAPT (0.45) MAPTLCATKDM4EALDH1A1CFTR

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-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
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 AR 1019/4885MAPT 2841/4885LCAT 3252/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 AR 1019/4885MAPT 2841/4885LCAT 3252/4885

“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.