SCHEMBL4259676

SCHEMBL4259676

COC(=O)c1cc(-c2ccc(Cl)cc2)ccc1/N=C/N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.45
SLC6A4 P31645 1/20 0.45
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ABL1 P00519 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CASP3 P42574 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
SCHEMBL4259680 1.00 SLC6A3 (0.45) SLC6A3SLC6A4MAPTSMN1; SMN2NPC1
SCHEMBL13912292 0.88 NR4A2 (0.46) SLC6A3SLC6A4MAPTSMN1; SMN2KDM4E
SCHEMBL31306174 0.81 ABL1 (0.51) SLC6A3SLC6A4MAPTSMN1; SMN2NPC1
SCHEMBL4253352 0.79 ALDH1A1 (0.43) SLC6A3SLC6A4MAPTSMN1; SMN2NPC1
SCHEMBL4253354 0.79 ALDH1A1 (0.43) SLC6A3SLC6A4MAPTSMN1; SMN2NPC1
SCHEMBL3273436 0.79 KDM4E (0.49) MAPTSMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL3273430 0.79 KDM4E (0.49) MAPTSMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL1531291 0.77 MAPT (0.58) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL1531292 0.77 MAPT (0.58) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL5255875 0.77 MAPT (0.58) MAPTNPC1RAB9AKDM4EALDH1A1

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
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
EP-1986646-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093363-A1 NOVEL AZACYCLY-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO 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-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT SLC6A3 881/4885SLC6A4 294/4885MAPT 4471/4885

“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.