SCHEMBL9946453

SCHEMBL9946453

CCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1ccc(-n2cncn2)c(NC(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 5/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CYP3A4 P08684 1/20 0.43

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
SCHEMBL9944023 0.93 ALDH1A1 (0.52) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17399561 0.89 ALDH1A1 (0.46) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1275752 0.86 ALDH1A1 (0.44) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14562859 0.86 ALDH1A1 (0.50) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1275123 0.85 ALDH1A1 (0.44) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL299819 0.85 ALDH1A1 (0.55) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL13076340 0.85 ALDH1A1 (0.49) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9894411 0.84 ALDH1A1 (0.43) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1275829 0.84 ALDH1A1 (0.43) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14562868 0.84 ALDH1A1 (0.47) GRM7ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227923-B2 Pesticidal carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-05 US disclosed
US-20120149910-A1 Pesticidal Carboxamides BAYER CROPSCIENCE AG (DE) 2012-06-14 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-20120149910-A1 Pesticidal Carboxamides DDT, ACHE, AADAC GRM7 634/4885ALDH1A1 1360/4885CYP1A2 338/4885

“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.