SCHEMBL7650581

SCHEMBL7650581

COC(=O)C=Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.35
BCAT1 P54687 7/20 0.35
EPAS1 Q99814 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL8672831 0.86 BCAT2 (0.32) BCAT2BCAT1
SCHEMBL7166377 0.84 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL7692540 0.82 BCAT2 (0.36) BCAT2BCAT1
SCHEMBL9469470 0.82 BCAT2 (0.39) BCAT2BCAT1ALDH1A1MAPTKDM4E
SCHEMBL8193759 0.80 BCAT2 (0.40) BCAT2BCAT1
SCHEMBL6703569 0.79 BCAT1 (0.46) BCAT2BCAT1
SCHEMBL6743751 0.79 BCAT2 (0.38) BCAT2BCAT1
SCHEMBL5848585 0.78 BCAT1 (0.43) BCAT2BCAT1
SCHEMBL7960192 0.78 BCAT2 (0.37) BCAT2BCAT1
SCHEMBL7466877 0.77 MAPT (0.47) BCAT2BCAT1ALDH1A1MAPTKDM4E

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
US-6455697-B2 Substituted phenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2002-09-24 US disclosed
US-6437126-B1 HERBICIDES; REACTING 1-(4-CYANO-2-FLUORO-5-FORMYL-PHENYL) -3,6-DIHYDRO-2,6-DIOXO-3-METHYL-4-TRIFLUOROMETHYL-1(2H)-PYRIMIDINE WITH METHYOXYAMINE, AN AMINE, MERCAPTAN, OR AN ALCOHOL BAYER AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
US-6251828-B1 HERBICIDE FOR TOTAL CONTROL OF WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-20010003732-A1 1-(4-cyano-2-fluoro-5-(2-chloro-2-methoxycarbonylethyl) -phenyl)-3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1-(2H)-pyrimidine, for example; use as herbicides; chemical intermediates and method of synthesis ANDREE ROLAND (DE) 2001-06-14 US disclosed
US-6245714-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-12 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-20010003732-A1 1-(4-cyano-2-fluoro-5-(2-chloro-2-methoxycarbonylethyl) -phenyl)-3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1-(2H)-pyrimidine, for example; use as herbicides; chemical intermediates and method of synthesis DDT, DPYD, DHFR BCAT2 625/4885BCAT1 775/4885EPAS1 3841/4885

“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.