SCHEMBL601590

SCHEMBL601590

NC(=NO)c1cc(-c2ccccc2C(F)(F)F)ncn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.65
CYP1A2 P05177 12/20 0.52
CYP3A4 P08684 7/20 0.52
CYP2C19 P33261 10/20 0.47
TSHR P16473 7/20 0.47
CYP2D6 P10635 6/20 0.47
HIF1A Q16665 3/20 0.47
ALOX15 P16050 4/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 4/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
CLK4 Q9HAZ1 3/20 0.43
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 1/20 0.41
SCN9A Q15858 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40

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
SCHEMBL10223638 1.00 KMO (0.65) KMOCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL1934839 0.80 SCN9A (0.48) KMOCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL12439746 0.80 SCN9A (0.48) KMOCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL1938822 0.79 KMO (1.00) KMOCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL14667328 0.75 KMO (0.60) KMOCYP1A2CYP2C19TSHRTP53
SCHEMBL28513229 0.75 CYP1A2 (0.61) KMOCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL601003 0.75 KMO (0.46) KMO
SCHEMBL10223609 0.75 KMO (0.46) KMO
SCHEMBL1939559 0.75 KMO (0.71) KMOCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL18342 0.73 KMO (0.65) KMOCYP1A2CYP3A4CYP2C19TSHR

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 3 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
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 868/4885CYP1A2 912/4885CYP3A4 1535/4885

“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.