SCHEMBL4256945

SCHEMBL4256945

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 6/20 0.51
HPGD P15428 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
ABL1 P00519 1/20 0.49
TP53 P04637 2/20 0.47
MDM2 Q00987 1/20 0.47
SLC9A1 P19634 3/20 0.46
HTR1A P08908 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CNR1 P21554 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL2169674 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL23804754 0.82 KDM4E (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2TP53
SCHEMBL25782493 0.79 ABL1 (0.53) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL3914366 0.75 NPC1 (0.70) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL4253352 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL4253354 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL25002899 0.73 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL25782515 0.72 NPC1 (0.51) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL4264458 0.71 ABL1 (0.61) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL13912297 0.71 SLC9A1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT

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 1981/4885KDM4E 414/4885HPGD 1715/4885

“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.