SCHEMBL601837

SCHEMBL601837

COc1nc(-c2noc(=O)[nH]2)cc(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
PTGS1 P23219 6/20 0.36
PTGS2 P35354 3/20 0.36
FABP4 P15090 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMO O15229 1/20 0.34
USP2 O75604 1/20 0.34
FABP3 P05413 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MITF O75030 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL604062 0.82 HPGD (0.37) HSD17B10FABP4ALDH1A1KDM4EHPGD
SCHEMBL600564 0.81 KMO (0.36) HSD17B10ALDH1A1KDM4EHPGDNPSR1
SCHEMBL603910 0.80 RARB (0.39) HSD17B10ALDH1A1KDM4EHPGDKMT2A
SCHEMBL601206 0.79 THRA (0.35) HSD17B10ALDH1A1KDM4EHPGDKMT2A
SCHEMBL603662 0.79 KMT2A (0.36) HSD17B10ALDH1A1KDM4EHPGDNPSR1
SCHEMBL601836 0.77 HSD17B10 (0.51) HSD17B10PTGS1PTGS2FABP4ALDH1A1
SCHEMBL601266 0.76 HPGD (0.51) HSD17B10ALDH1A1KDM4EHPGDNPSR1
SCHEMBL602766 0.75 LCAT (0.35) HPGDKMO
SCHEMBL18108 0.73 KMO (0.52) HSD17B10ALDH1A1KDM4EHPGDKMT2A
SCHEMBL2338992 0.71 RARB (0.37) HSD17B10ALDH1A1KDM4EHPGDKMT2A

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 HSD17B10 3869/4885PTGS1 2380/4885PTGS2 1774/4885

“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.