SCHEMBL17157382

SCHEMBL17157382

CC#CC(O)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ABL1 P00519 9/20 0.36
▸ SCN10A Q9Y5Y9 3/20 0.35
▸ SCN5A Q14524 4/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ SCN1A P35498 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 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
SCHEMBL17157422 0.87 ALOX5AP (0.43) CYP3A4CYP2C9CYP2C19ABL1
SCHEMBL17172329 0.83 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19ABL1SCN10A
SCHEMBL17157426 0.82 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19ABL1SCN10A
SCHEMBL17172350 0.81 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19ABL1SCN10A
SCHEMBL17157449 0.80 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19ABL1SCN10A
SCHEMBL17172179 0.80 ABL1 (0.36) CYP3A4CYP2C9CYP2C19ABL1SCN5A
SCHEMBL17157354 0.79 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19ABL1SCN10A
SCHEMBL20596700 0.79 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19ABL1SCN10A
SCHEMBL17157316 0.79 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19ABL1SCN10A
SCHEMBL17172376 0.78 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19ABL1SCN10A

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 CYP3A4 89/4885CYP2C9 68/4885CYP2C19 76/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP3A4 89/4885CYP2C9 68/4885CYP2C19 76/4885
US-20180298038-A1 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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