SCHEMBL602375

SCHEMBL602375

O=C(N1CCCC1)n1c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)noc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.46
NPSR1 Q6W5P4 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL601874 0.82 KHK (0.36) ADRB2NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL604084 0.80 FABP4 (0.33) ADRB2NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL603180 0.75 KMO (0.47) MEN1KMT2AHPGDCYP2C9LMNA
SCHEMBL2332580 0.74 HPGD (0.40) NPSR1MEN1KMT2AHPGDHSD17B10
SCHEMBL603341 0.74 GAA (0.33) HPGD
SCHEMBL2338430 0.74 HPGD (0.42) NPSR1MEN1KMT2AHPGDLMNA
SCHEMBL602588 0.74
SCHEMBL2338198 0.71 HCRTR1 (0.32) SMN1; SMN2HPGDLMNAPOLBHDAC4
SCHEMBL602876 0.67 LMNA (0.30) SMN1; SMN2LMNA
SCHEMBL13066928 0.66 HDAC4 (0.32) HDAC4HDAC6

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 ADRB2 3314/4885NPSR1 3600/4885MEN1 4287/4885

“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.