SCHEMBL298806

SCHEMBL298806

Nc1cc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc2Br)ccc1-n1cncn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ GRM7 Q14831 4/20 0.41
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31633646 0.95 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL14562904 0.86 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL298783 0.86 MAPT (0.57) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL14562854 0.85 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL14563011 0.85 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL13076895 0.83 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL298774 0.82 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL6743068 0.81 HDAC1 (0.37) MAPTKMT2A
SCHEMBL31633659 0.81 MAPT (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL14562831 0.80 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT

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 14 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-8455399-B2 N-(4-perfluoroalkyl-phenyl)-4-triazolyl-benzamides as insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-06-04 — — US disclosed
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
US-20130023571-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-01-24 — — 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
EP-2427439-B1 N-(4-PERFLUOROALKYL-PHENYL)-4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-01-16 — — EP disclosed
EP-2427439-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES Syngenta Participations AG (CH) 2012-03-14 — — EP disclosed
WO-2010127927-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-11-11 — — WO disclosed
WO-2010127927-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-11-11 — — WO 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 CYP1A2 174/4885CYP2C9 118/4885CYP2C19 312/4885

“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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