SCHEMBL602766

SCHEMBL602766

O=c1[nH]c(-c2cc(C(F)(F)F)nc(C3CC3)n2)no1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCAT P04180 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
TRPM8 Q7Z2W7 2/20 0.34
KHK P50053 2/20 0.33
KMO O15229 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HPGD P15428 1/20 0.33
MDM2 Q00987 5/20 0.32
NOTUM Q6P988 2/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL603472 0.90 TRPM8 (0.34) BRD4CREBBPTRPM8KMOCNR1
SCHEMBL600564 0.80 KMO (0.36) KMOCNR1HPGD
SCHEMBL604062 0.79 HPGD (0.37) KMOCNR1HPGD
SCHEMBL602765 0.78 LCAT (0.36) LCATKHKHPGDNOTUMTLR8
SCHEMBL2334215 0.78 MDM2 (0.36) BRD4CREBBPTRPM8KMOCNR1
SCHEMBL602894 0.77 KMO (0.41) BRD4CREBBPKMOHPGDMDM2
SCHEMBL603910 0.76 RARB (0.39) KMOHPGD
SCHEMBL603662 0.75 KMT2A (0.36) KMOHPGD
SCHEMBL601266 0.75 HPGD (0.51) KMOHPGD
SCHEMBL601206 0.75 THRA (0.35) KMOHPGD

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 LCAT 3531/4885BRD4 3694/4885CREBBP 3729/4885

“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.