SCHEMBL601874

SCHEMBL601874

O=C(N1CCCC1)n1c(-c2cc(C(F)(F)F)nc(C3CC3)n2)noc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.36
FABP4 P15090 2/20 0.34
LCAT P04180 1/20 0.34
ADRB2 P07550 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.32
F2R P25116 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
MAP3K12 Q12852 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC4 P56524 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
SCHEMBL603341 0.92 GAA (0.33) HPGDGAACNR1F2RTMEM97
SCHEMBL608564 0.82 ADRB2 (0.39) HPGDFABP4ADRB2MEN1KMT2A
SCHEMBL602375 0.82 ADRB2 (0.46) HPGDADRB2MEN1KMT2ANPSR1
SCHEMBL604084 0.80 FABP4 (0.33) HPGDFABP4ADRB2MEN1KMT2A
SCHEMBL601207 0.75 TLR7 (0.37) KHKHPGDLCATMEN1KMT2A
SCHEMBL601045 0.74 KHK (0.34) KHKHPGDLCATCYP3A4SMN1; SMN2
SCHEMBL602588 0.74
SCHEMBL602276 0.74 KHK (0.36) KHKHPGDLCATCNR2
SCHEMBL603092 0.73 KHK (0.36) KHKHPGDGAALCATMEN1
SCHEMBL2332580 0.72 HPGD (0.40) HPGDMEN1KMT2ANPSR1MAP3K12

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 KHK 382/4885HPGD 1037/4885GAA 1427/4885

“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.