SCHEMBL17172179

SCHEMBL17172179

CC(C)(C)C#CC(O)(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.36
▸ CCR6 P51684 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CFTR P13569 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
SCHEMBL17172181 0.90 CYP19A1 (0.39) KCNH2SCN9ARAB9ASCN5ACYP3A4
SCHEMBL17157488 0.86 CYP19A1 (0.40) CYP3A4
SCHEMBL17172186 0.84 CYP19A1 (0.32) —
SCHEMBL17172193 0.84 ABL1 (0.35) ABL1CCR6KCNH2SCN9ANPC1
SCHEMBL17157382 0.80 CYP3A4 (0.41) ABL1KCNH2SCN9ASCN5ACYP3A4
SCHEMBL17172165 0.79 ABL1 (0.36) ABL1CCR6KCNH2SCN9ANPC1
SCHEMBL17172180 0.79 CCR6 (0.38) ABL1CCR6KCNH2SCN9ANPC1
SCHEMBL17172195 0.79 ALDH1A1 (0.35) NPC1RAB9A
SCHEMBL17172194 0.78 LIPE (0.36) SCN9ARAB9ACYP3A4
SCHEMBL17172214 0.76 L3MBTL1 (0.35) L3MBTL1

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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ABL1 474/4885CCR6 4584/4885KCNH2 864/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ABL1 474/4885CCR6 4584/4885KCNH2 864/4885

“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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