SCHEMBL3622091

SCHEMBL3622091

CCOC(=O)c1cc2cc(F)ccc2n1Cc1cccnc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.47
NOD1 Q9Y239 3/20 0.47
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 3/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
F10 P00742 3/20 0.45
ALDH1A1 P00352 5/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL15362104 0.87 CCR2 (0.53) KDM4EHSD17B10F10ALDH1A1IDO1
SCHEMBL3614611 0.86 NOD2 (0.42) NOD2NOD1MAPTKDM4ETDP1
SCHEMBL3612081 0.85 NOD2 (0.47) NOD2NOD1MAPTKDM4ETDP1
SCHEMBL3615699 0.84 NOD2 (0.51) NOD2NOD1MAPTKDM4ETDP1
SCHEMBL15361883 0.84 NTRK1 (0.38) NOD2NOD1MAPTKDM4ETSHR
SCHEMBL3276789 0.82 NOD2 (0.54) NOD2NOD1MAPTKDM4ETDP1
SCHEMBL3564999 0.81 IDO1 (0.57) NOD2NOD1MAPTKDM4ETDP1
SCHEMBL3566463 0.81 NOD2 (0.49) NOD2NOD1MAPTKDM4ETSHR
SCHEMBL832502 0.81 NOD2 (0.57) NOD2NOD1MAPTKDM4ETDP1
SCHEMBL3617356 0.80 MAPT (0.53) NOD2NOD1MAPTKDM4ETDP1

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
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP claimed
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof DUBOIS LAURENT (FR) 2013-02-21 US claimed
US-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-09-02 US claimed
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-06-19 US claimed

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-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 NOD2 933/4885NOD1 382/4885MAPT 3396/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 NOD2 933/4885NOD1 382/4885MAPT 3396/4885
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 NOD2 933/4885NOD1 382/4885MAPT 3396/4885

“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.