SCHEMBL17196200

SCHEMBL17196200

COc1ncncc1C(O)(c1ccc(-c2ccc(OC(F)(F)F)cn2)cn1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ABL1 P00519 11/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ DGAT1 O75907 3/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32

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
SCHEMBL17172289 0.91 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19ABL1KCNH2
SCHEMBL17157372 0.89 DGAT1 (0.37) CYP3A4CYP2C9CYP2C19DGAT1TRPV3
SCHEMBL17177016 0.89 DGAT1 (0.34) ALOX5APRXFP1DGAT1TRPV3
SCHEMBL17177083 0.87 DGAT1 (0.33) ALOX5APRXFP1DGAT1TRPV3
SCHEMBL17172317 0.87 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19ABL1DGAT1
SCHEMBL17196186 0.87 DGAT1 (0.37) ALOX5APRXFP1DGAT1
SCHEMBL17172332 0.85 SCN5A (0.38) CYP3A4CYP2C9CYP2C19ABL1KCNH2
SCHEMBL17172310 0.85 ALOX5AP (0.41) CYP3A4CYP2C9CYP2C19ABL1ALOX5AP
SCHEMBL17157410 0.83 ABL1 (0.38) CYP3A4CYP2C9CYP2C19ABL1ALOX5AP
SCHEMBL17172295 0.83 PDE10A (0.39) KCNH2TRPV3

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 3 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-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

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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM CYP3A4 89/4885CYP2C9 68/4885CYP2C19 76/4885

“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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