SCHEMBL601603

SCHEMBL601603

O=C(OCn1c(-c2cc(C(F)(F)F)nc(C3CC3)n2)noc1=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 7/20 0.35
TP53 P04637 5/20 0.35
MAPK1 P28482 5/20 0.35
NPSR1 Q6W5P4 5/20 0.35
HSD17B10 Q99714 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
TLR9 Q9NR96 2/20 0.35
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35
STAT3 P40763 2/20 0.35
STAT1 P42224 2/20 0.35
KHK P50053 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
BCL2A1 Q16548 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL2339120 0.77 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL602276 0.77 KHK (0.36) ALDH1A1HPGDTP53MAPK1HSD17B10
SCHEMBL2340206 0.72 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1HSD17B10SMN1; SMN2
SCHEMBL2338781 0.71 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA
SCHEMBL2332214 0.71 KMT2A (0.35) ALDH1A1KMT2ARAB9ANPC1CYP1A2
SCHEMBL601874 0.71 KHK (0.36) HPGDNPSR1SMN1; SMN2LMNAKMT2A
SCHEMBL13066936 0.70 KMT2A (0.32) ALDH1A1KMT2A
SCHEMBL2336234 0.70 KMT2A (0.40) ALDH1A1HPGDMAPK1NPSR1SMN1; SMN2
SCHEMBL2337569 0.69 ALDH1A1 (0.38) ALDH1A1HPGDTP53NPSR1SMN1; SMN2
SCHEMBL2336388 0.68 JMJD6 (0.36) ALDH1A1HPGDNPSR1SMN1; SMN2LMNA

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 2299/4885HPGD 1037/4885TP53 2446/4885

“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.