SCHEMBL4875272

SCHEMBL4875272

O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.73
KMT2A Q03164 1/20 0.56
TP53 P04637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL4875612 0.88 ENPP2 (0.82) ENPP2KMT2ATP53KDM4EMAPT
SCHEMBL12316844 0.85 ENPP2 (0.66) ENPP2KMT2ATP53KDM4EMAPT
SCHEMBL30556476 0.80 HSD17B10 (0.69) ENPP2KMT2AKDM4EMAPTTSHR
SCHEMBL4879217 0.76 ENPP2 (0.66) ENPP2KMT2AKDM4EMAPTTSHR
SCHEMBL29656984 0.75 ENPP2 (0.71) ENPP2KMT2AKDM4EMAPTTSHR
SCHEMBL13413795 0.74 ENPP2 (0.60) ENPP2KMT2AMAPTTSHRHSD17B10
SCHEMBL29739746 0.74 ENPP2 (0.68) ENPP2KMT2ATP53KDM4EMAPT
SCHEMBL29816941 0.74 TSHR (0.74) ENPP2KMT2AKDM4EMAPTTSHR
SCHEMBL4882847 0.74 ENPP2 (0.66) ENPP2KMT2ATP53MAPTTSHR
SCHEMBL24176321 0.74 ENPP2 (1.00) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates MTNR1A, GSR, NLN ENPP2 2226/4885KMT2A 3086/4885TP53 2534/4885

“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.