SCHEMBL603191

SCHEMBL603191

O=c1[nH]c(-c2cc(OCC(F)(F)F)ncn2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
ALDH1A1 P00352 3/20 0.37
MGAT2 Q10469 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MDM2 Q00987 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
THRB P10828 1/20 0.30
G6PD P11413 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18108 0.79 KMO (0.52) KMOALDH1A1KDM4EMEN1KMT2A
SCHEMBL2340435 0.78 ALDH1A1 (0.42) KMOALDH1A1MGAT2MAPTKDM4E
SCHEMBL603190 0.76 L3MBTL1 (0.33) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL603193 0.76 KMO (0.44) KMOALDH1A1MDM2MEN1USP2
SCHEMBL602809 0.74 KMO (0.50) KMOALDH1A1RARB
SCHEMBL601230 0.74 KMO (0.63) KMOALDH1A1TRPV1RARB
SCHEMBL2337223 0.73 ALDH1A1 (0.40) KMOALDH1A1MGAT2HDAC1HDAC6
SCHEMBL18186 0.73 ALDH1A1 (0.39) ALDH1A1MGAT2L3MBTL1HDAC1HDAC6
SCHEMBL601161 0.72 KMO (0.48) KMOALDH1A1RARB
SCHEMBL603110 0.72 KMO (0.51) KMOALDH1A1KDM4EUSP2ALOX15

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 KMO 868/4885ALDH1A1 2299/4885MGAT2 1652/4885

“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.