SCHEMBL4248781

SCHEMBL4248781

CCOc1ccc(C(=O)N=C=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.56
NPC1 O15118 2/20 0.53
PLK1 P53350 1/20 0.53
NPSR1 Q6W5P4 3/20 0.50
PLA2G4B P0C869 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 2/20 0.49
NQO1 P15559 1/20 0.48
HPGD P15428 4/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5824467 0.85 PARP10 (0.54) PARP10NPC1PLK1NPSR1PLA2G4B
SCHEMBL4246590 0.80 CES2 (0.55) PARP10PLK1NPSR1KMT2AALDH1A1
SCHEMBL13945433 0.80 PARP10 (0.61) PARP10NPC1PLK1NPSR1PLA2G4B
SCHEMBL11372020 0.79 CA1 (0.58) NPC1NPSR1KMT2AALDH1A1RAB9A
SCHEMBL3393415 0.79 TP53 (0.36) ALDH1A1HPGDLMNAHTTMAPT
SCHEMBL6997144 0.77 ELANE (0.53) NPC1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL7990900 0.76 PARP10 (0.56) PARP10NPC1PLK1NPSR1PLA2G4B
SCHEMBL1367365 0.75 PARP10 (0.70) PARP10NPC1PLK1NPSR1PLA2G4B
SCHEMBL845348 0.75 NPSR1 (0.79) PARP10NPC1PLK1NPSR1PLA2G4B
SCHEMBL7985087 0.75 PARP10 (0.54) PARP10NPC1PLK1NPSR1PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473700-B2 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (KR) 2009-01-06 US disclosed
US-20060074118-A1 1, 2, 4 - Triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (JP) 2006-04-06 US disclosed
EP-1565447-A4 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORP (KR) 2005-11-16 EP disclosed
EP-1565447-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP disclosed
WO-2004048347-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 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-20060074118-A1 1, 2, 4 - Triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CYP4B1, CYP3A4, CYP3A5 PARP10 2562/4885NPC1 361/4885PLK1 1320/4885

“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.