SCHEMBL718767

SCHEMBL718767

COC(=O)c1nc(-c2ccc(C(C)=O)c(OC)c2F)nc(N)c1C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.34
KMT2A Q03164 4/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 7/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
RAB9A P51151 3/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
CISD2 Q8N5K1 1/20 0.32
POLB P06746 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL719379 0.88 TAS1R3 (0.38) KDM4EKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL719674 0.87 RAB9A (0.35) KDM4EKMT2ACNR2ALDH1A1SMN1; SMN2
SCHEMBL718435 0.79 TAS1R3 (0.37) KDM4EKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL721102 0.78 KDM4E (0.35) KDM4EKMT2ACNR2ALDH1A1SMN1; SMN2
SCHEMBL1917989 0.77 TAS1R3 (0.37) KDM4EKMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL20727042 0.75 KDM4E (0.34) KDM4EKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL10252099 0.75 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2RAB9APKM
SCHEMBL1223170 0.75 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10
SCHEMBL30151443 0.75 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10
SCHEMBL1115136 0.75 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2PKMHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP KDM4E 2202/4885KMT2A 2226/4885CNR2 1974/4885

“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.