SCHEMBL3566593

SCHEMBL3566593

CCOC(=O)c1cc2cc(F)ccc2n1CCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
NOD2 Q9HC29 2/20 0.46
NOD1 Q9Y239 2/20 0.46
HRH1 P35367 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
PLK1 P53350 1/20 0.44
F10 P00742 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
MMP13 P45452 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3564999 0.90 IDO1 (0.57) IDO1KDM4ENOD2NOD1PTGDR2
SCHEMBL4599686 0.85 IDO1 (0.61) IDO1KDM4EHRH1PTGDR2PLK1
SCHEMBL15362101 0.84 IDO1 (0.51) IDO1KDM4EHRH1PTGDR2PLK1
SCHEMBL3615596 0.83 KDM4E (0.45) IDO1SMN1; SMN2KDM4ECRHBPCRHR2
SCHEMBL832502 0.79 NOD2 (0.57) IDO1SMN1; SMN2KDM4ECRHBPCRHR2
SCHEMBL7424288 0.79 NOD2 (0.69) IDO1SMN1; SMN2KDM4ECRHBPCRHR2
SCHEMBL830229 0.78 KDM4E (0.49) SMN1; SMN2KDM4ECRHBPCRHR2NOD2
SCHEMBL7751603 0.78 NOD2 (0.50) SMN1; SMN2KDM4ECRHBPCRHR2NOD2
SCHEMBL832448 0.78 F10 (0.61) SMN1; SMN2KDM4ECRHBPCRHR2NOD2
SCHEMBL3571193 0.78 NOD2 (0.45) IDO1SMN1; SMN2KDM4ECRHBPCRHR2

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 10 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
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 IDO1 1/4885SMN1; SMN2 2075/4885KDM4E 1499/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 IDO1 1/4885SMN1; SMN2 2075/4885KDM4E 1499/4885
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 IDO1 1/4885SMN1; SMN2 2075/4885KDM4E 1499/4885

“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.