SCHEMBL601195

SCHEMBL601195

O=c1[nH]c(-c2cc(-c3cccc(C(F)(F)F)c3)ncn2)no1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.59
XDH P47989 1/20 0.46
NOTUM Q6P988 1/20 0.45
SCN2A Q99250 3/20 0.44
IDO1 P14902 1/20 0.42
FAAH O00519 1/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
MAOB P27338 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPY5R Q15761 1/20 0.39
PGR P06401 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL601230 0.86 KMO (0.63) KMONOTUMFAAHALDH1A1
SCHEMBL1935751 0.85 NOTUM (0.45) KMOXDHNOTUMSCN2AHRH1
SCHEMBL14667330 0.82 KMO (0.67) KMOXDHKDM4EALDH1A1
SCHEMBL2229011 0.81 KMO (0.70) KMONOTUMSCN2AIDO1FAAH
SCHEMBL601194 0.78 KMO (0.52) KMOXDHNOTUMSCN2AIDO1
SCHEMBL2338601 0.78 KMO (0.45) KMONOTUMFAAHALDH1A1
SCHEMBL2289143 0.77 KMO (0.68) KMOMAOBALDH1A1
SCHEMBL603110 0.77 KMO (0.51) KMONOTUMMAOBKDM4EALDH1A1
SCHEMBL18108 0.76 KMO (0.52) KMOKDM4EALDH1A1
SCHEMBL1935085 0.75 RAF1 (0.50) ALDH1A1

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
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010134478-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS KMO 868/4885XDH 339/4885NOTUM 334/4885

“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.