SCHEMBL14562831

SCHEMBL14562831

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1Br)c1ccc(-n2cncn2)c(NC(=O)c2ccc(F)cc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ GRM7 Q14831 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL14562904 0.91 CYP1A2 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL14562952 0.88 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL13076895 0.83 CYP1A2 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL298806 0.80 CYP1A2 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL14562860 0.80 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL298783 0.78 MAPT (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL14562859 0.78 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL297862 0.77 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL31633646 0.76 CYP1A2 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL299819 0.75 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455399-B2 N-(4-perfluoroalkyl-phenyl)-4-triazolyl-benzamides as insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-06-04 — — US claimed
US-20130023571-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-01-24 — — US claimed
EP-2427439-B1 N-(4-PERFLUOROALKYL-PHENYL)-4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-16 — — EP claimed
US-8455399-B2 N-(4-perfluoroalkyl-phenyl)-4-triazolyl-benzamides as insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-06-04 — — US disclosed
US-20130023571-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-01-24 — — US disclosed
EP-2427439-B1 N-(4-PERFLUOROALKYL-PHENYL)-4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-16 — — EP 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-20130023571-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES PFAS, AADAC, FABP5 ALDH1A1 664/4885CYP1A2 174/4885CYP2C9 118/4885

“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.

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