SCHEMBL6589202

SCHEMBL6589202

CC(C)n1c(=O)cc(C(F)(F)F)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2B6 P20813 1/20 0.43
BCAT1 P54687 8/20 0.43
BCAT2 O15382 6/20 0.43
POLB P06746 1/20 0.39
PGR P06401 3/20 0.38
NOTUM Q6P988 1/20 0.35

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
SCHEMBL24171772 0.83 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL5164597 0.76 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL11925125 0.76 CYP3A4 (0.46) ALDH1A1KDM4ECYP3A4CYP2B6POLB
SCHEMBL24961532 0.73 KDM4E (0.50) ALDH1A1CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL10855053 0.72 CYP3A4 (0.50) ALDH1A1SMN1; SMN2KDM4ECYP3A4CYP2B6
SCHEMBL1944948 0.72 CYP3A4 (0.46) ALDH1A1KDM4ECYP3A4CYP2B6POLB
SCHEMBL9032574 0.70 BCAT1 (0.46) ALDH1A1CYP2C9CYP2C19SMN1; SMN2BCAT1
SCHEMBL13456857 0.69 CYP3A4 (0.59) ALDH1A1SMN1; SMN2KDM4ECYP3A4CYP2B6
SCHEMBL10033282 0.68 CYP3A4 (0.43) ALDH1A1KDM4ECYP3A4CYP2B6POLB
SCHEMBL16324979 0.67 CYP3A4 (0.64) SMN1; SMN2CYP3A4CYP2B6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3981715-A 2,3,5-Substituted-6-trifluoromethyl-1,3-diazin-4-ones herbicides AMERICAN CYANAMID COMPANY (US) 1976-09-21 US claimed
US-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2020-06-04 US disclosed
EP-1150962-B1 PROCESS FOR THE PREPARATION OF 6-(PERFLUOROALKYL)URACIL COMPOUNDS FROM CARBAMATE COMPOUNDS AMERICAN CYANAMID CO (US) 2004-04-28 EP disclosed
US-6355796-B1 REACTING BETA-AMINO-BETA-(PERFLUOROALKYL)ACRYLATE COMPOUND WITH BASE AND CARBAMOYL CHLORIDE COMPOUND TO FORM UREA COMPOUND, REACTING UREA COMPOUND WITH PHOSPHORUS PENTAHALIDE OR OXALYL HALIDE BASF AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
US-6313295-B1 REACTING CARBAMATE WITH AMINE; CYCLIZATION, ALKYLATION BASF AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
US-6140270-A BY REACTING THEM WITH AN AMINE COMPOUND AND AN ACID OR BASE; HERBICIDES AMERICAN CYANAMID COMPANY 2000-10-31 US disclosed
US-3981715-A 2,3,5-Substituted-6-trifluoromethyl-1,3-diazin-4-ones herbicides AMERICAN CYANAMID COMPANY (US) 1976-09-21 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-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES CBR3, CBR1, CYP4X1 ALDH1A1 336/4885CYP2C9 62/4885CYP2C19 117/4885

“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.