SCHEMBL603201

SCHEMBL603201

CC(C)c1nc(-c2ccccc2)cc(-c2noc(=O)[nH]2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMO O15229 1/20 0.41
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
XDH P47989 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GSK3B P49841 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL601129 0.85 KMO (0.44) ALDH1A1KMOKDM4EHPGDHSD17B10
SCHEMBL602894 0.78 KMO (0.41) ALDH1A1KMOADORA1ADORA3ADORA2A
SCHEMBL17563610 0.78 MEN1 (0.54) ALDH1A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL603200 0.77 ALDH1A1 (0.40) ALDH1A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL601206 0.76 THRA (0.35) ALDH1A1KMOKDM4EHPGDHSD17B10
SCHEMBL14667330 0.76 KMO (0.67) ALDH1A1KMOKDM4EHPGDHSD17B10
SCHEMBL603947 0.74 KMO (0.47) ALDH1A1KMOADORA3KDM4EHPGD
SCHEMBL602042 0.74 XDH (0.49) ALDH1A1KMOKDM4EHPGDXDH
SCHEMBL13066312 0.73 KMO (0.33) KMOTP53
SCHEMBL3743779 0.73 ALDH1A1 (0.56) ALDH1A1HPGDXDHMAPT

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 ALDH1A1 2299/4885KMO 868/4885ADORA1 372/4885

“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.