SCHEMBL3615596

SCHEMBL3615596

CCOC(=O)c1cc2cc(F)ccc2n1CCc1ccnc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
NOD2 Q9HC29 2/20 0.44
NOD1 Q9Y239 2/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
F10 P00742 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
IDO1 P14902 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 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
SCHEMBL3617356 0.90 MAPT (0.53) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL4600433 0.87 ALDH1A1 (0.51) KDM4EALDH1A1POLBHPGDIDO1
SCHEMBL15362051 0.84 TP53 (0.35) KDM4ESMN1; SMN2MAPTALDH1A1HTT
SCHEMBL3566593 0.83 IDO1 (0.58) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL832502 0.80 NOD2 (0.57) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL3620717 0.79 KDM4E (0.44) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL7751603 0.79 NOD2 (0.50) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL21647437 0.78 KDM4E (0.49) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL3566463 0.78 NOD2 (0.49) KDM4ESMN1; SMN2CRHBPCRHR2NOD2
SCHEMBL3619269 0.77 NOD2 (0.51) KDM4ESMN1; SMN2CRHBPCRHR2NOD2

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 KDM4E 1499/4885SMN1; SMN2 2075/4885CRHBP 3524/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 KDM4E 1499/4885SMN1; SMN2 2075/4885CRHBP 3524/4885
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 KDM4E 1499/4885SMN1; SMN2 2075/4885CRHBP 3524/4885

“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.