SCHEMBL4253354

SCHEMBL4253354

COC(=O)c1oc(-c2ccc(Cl)cc2)cc1N=CN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CNR1 P21554 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
ADORA2A P29274 1/20 0.40
OPRM1 P35372 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
SCHEMBL4253352 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL4259680 0.79 SLC6A3 (0.45) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL4259676 0.79 SLC6A3 (0.45) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL13912296 0.75 ALDH1A1 (0.48) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL2169674 0.75 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL4256945 0.74 ALDH1A1 (0.51) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL5255875 0.74 MAPT (0.58) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL1531292 0.74 MAPT (0.58) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL1531291 0.74 MAPT (0.58) ALDH1A1LMNAMAPTKDM4ENPC1
SCHEMBL31306174 0.73 ABL1 (0.51) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD

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 ALDH1A1 1981/4885LMNA 4077/4885MAPT 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.