SCHEMBL3569937

SCHEMBL3569937

CCOC(=O)c1cc2cc(F)ccc2n1Cc1cncc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.46
NOD1 Q9Y239 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
F10 P00742 3/20 0.43
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR2 P41597 1/20 0.40
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL4600448 0.87 CCR2 (0.54) ALDH1A1F10CCR2KDM4EIDO1
SCHEMBL3571193 0.86 NOD2 (0.45) NOD2NOD1ALDH1A1MAPTPOLB
SCHEMBL3619008 0.86 NOD2 (0.49) NOD2NOD1ALDH1A1MAPTPOLB
SCHEMBL3619345 0.84 NOD2 (0.52) NOD2NOD1ALDH1A1MAPTPOLB
SCHEMBL3615030 0.84 NOD2 (0.49) NOD2NOD1ALDH1A1MAPTPOLB
SCHEMBL15362017 0.83 ALDH1A1 (0.36) ALDH1A1MAPTF10TSHRCCR2
SCHEMBL3614365 0.82 NOD2 (0.48) NOD2NOD1ALDH1A1MAPTPOLB
SCHEMBL3570690 0.82 NOD2 (0.45) NOD2NOD1ALDH1A1MAPTPOLB
SCHEMBL3566109 0.82 NOD2 (0.45) NOD2NOD1ALDH1A1MAPTPOLB
SCHEMBL3566463 0.82 NOD2 (0.49) NOD2NOD1ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735432-B2 N-(Heteroaryl)-1-heteroarylalky1-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-05-27 US claimed
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
US-8735432-B2 N-(Heteroaryl)-1-heteroarylalky1-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-05-27 US disclosed
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof DUBOIS LAURENT (FR) 2013-02-21 US disclosed
US-8318775-B2 N-(heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2012-11-27 US disclosed
US-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
US-7745467-B2 N-(heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-29 US disclosed
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2008-06-19 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-20100222368-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 NOD2 933/4885NOD1 382/4885ALDH1A1 862/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 NOD2 933/4885NOD1 382/4885ALDH1A1 862/4885
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 NOD2 933/4885NOD1 382/4885ALDH1A1 862/4885

“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.