SCHEMBL17157397

SCHEMBL17157397

Cc1cc(OC(F)(F)F)ccc1-c1ccc(C(O)(c2cncnc2)C(C)(C)C)nc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN5A Q14524 1/20 0.41
▸ ABL1 P00519 10/20 0.39
▸ CYP1A2 P05177 3/20 0.38
▸ PPARD Q03181 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CHRM5 P08912 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34

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
SCHEMBL17157467 0.89 ALOX5AP (0.45) ABL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17172271 0.89 ABL1 (0.40) SCN5AABL1CYP1A2PPARDCYP3A4
SCHEMBL17172277 0.87 SCN5A (0.39) SCN5AABL1CYP1A2PPARDCYP3A4
SCHEMBL17157449 0.87 CYP3A4 (0.43) SCN5AABL1CYP3A4CYP2C9CYP2C19
SCHEMBL17172365 0.86 SCN5A (0.41) SCN5AABL1CYP1A2PPARDFFAR4
SCHEMBL17172253 0.86 ABL1 (0.41) ABL1PPARD
SCHEMBL17171898 0.85 SCN5A (0.41) SCN5AABL1CYP1A2PPARDFFAR4
SCHEMBL17172342 0.85 SCN5A (0.43) SCN5AABL1CYP1A2CYP3A4CYP2C9
SCHEMBL17172332 0.84 SCN5A (0.38) SCN5AABL1CYP1A2PPARDCYP3A4
SCHEMBL17172239 0.84 KCNH2 (0.42) ABL1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-10-18 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — 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 (3 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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM SCN5A 959/4885ABL1 474/4885CYP1A2 22/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM SCN5A 959/4885ABL1 474/4885CYP1A2 22/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM SCN5A 959/4885ABL1 474/4885CYP1A2 22/4885

“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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