SCHEMBL974077

SCHEMBL974077

CCOC(=O)c1cn2ccc(NC(=O)c3cc4cc(C(F)(F)F)cnc4n3Cc3cccc(F)c3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
MAOB P27338 1/20 0.36
KDR P35968 1/20 0.36
BRAF P15056 1/20 0.35
SCD O00767 4/20 0.35
SCD5 Q86SK9 4/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
ACKR3 P25106 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL974068 0.89 KDM4E (0.42) KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL975216 0.88 SCD (0.37) MAOBSCDSCD5MAPTL3MBTL1
SCHEMBL974351 0.86 MCHR1 (0.40) MAOBSCDSCD5MAPTL3MBTL1
SCHEMBL975450 0.84 KDM4E (0.46) KDM4EPOLBSMN1; SMN2MAOBMAPT
SCHEMBL973777 0.82 LMNA (0.38) MAOBMAPTACKR3LMNA
SCHEMBL1093477 0.82 MAPT (0.46) KDM4EPOLBSMN1; SMN2MAPTL3MBTL1
SCHEMBL2814196 0.77 MAOB (0.49) KDM4EMAOBMAPT
SCHEMBL1099566 0.77 KCNQ3 (0.48) MAOBSCDSCD5MAPT
SCHEMBL926852 0.77 MAOB (0.41) KDM4EMAOBSCDMAPTL3MBTL1
SCHEMBL973793 0.77 MAOB (0.40) KDM4EMAOBBRAFSCDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235016-B1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-09-18 EP disclosed
US-8394820-B2 N-azabicyclic carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-12 US disclosed
US-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 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 (1 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-20110009444-A1 N-AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, SLC28A2 KDM4E 246/4885POLB 960/4885SMN1; SMN2 1410/4885

“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.