SCHEMBL3569668

SCHEMBL3569668

Cn1ccc2cc(NC(=O)c3cc4cc(F)ccc4n3CCc3cccnc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2B P41595 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR2C P28335 1/20 0.52
IDO1 P14902 2/20 0.51
ECE1 P42892 6/20 0.50
MAOB P27338 2/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.42
HRH1 P35367 1/20 0.41
GRM4 Q14833 1/20 0.41
NOTUM Q6P988 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
SCHEMBL4656256 0.89 ECE1 (0.62) ECE1PTGDR2NOTUMALDH1A1TSHR
SCHEMBL4655358 0.88 ECE1 (0.54) KDM4EMEN1TP53CYP1A2CYP3A4
SCHEMBL4655406 0.87 ECE1 (0.54) KDM4EMEN1TP53CYP1A2CYP3A4
SCHEMBL4656147 0.84 ECE1 (0.55) ECE1PTGDR2NOTUMALDH1A1TSHR
SCHEMBL4655387 0.84 ECE1 (0.51) ECE1
SCHEMBL15361984 0.83 MAOB (0.48) KDM4EMEN1TP53CYP1A2CYP3A4
SCHEMBL4657644 0.83 ECE1 (0.52) ECE1PTGDR2NOTUM
SCHEMBL4656519 0.82 ECE1 (0.54) ECE1MAOBPTGDR2NOTUM
SCHEMBL925357 0.82 HTR2B (0.57) KDM4EMEN1TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3576467 0.82 MAOB (0.47) KDM4EMEN1TP53CYP1A2CYP3A4

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 7 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 disclosed
EP-1910335-B1 N-(HETEROARYL)-1-HETEROARYLALKYL-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-11-06 EP 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 KDM4E 1499/4885MEN1 2056/4885TP53 3897/4885
US-20130046095-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 KDM4E 1499/4885MEN1 2056/4885TP53 3897/4885
US-20080146646-A1 N-(Heteroaryl)-1-heteroarylalkyl-1H-indole-2-carboxamide derivatives, preparation and therapeutic use thereof IDO1, IDO2, CNR2 KDM4E 1499/4885MEN1 2056/4885TP53 3897/4885

“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.