SCHEMBL17157467

SCHEMBL17157467

CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(OC(F)(F)F)cc2F)cn1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ABL1 P00519 11/20 0.39
▸ CYP1A2 P05177 2/20 0.36
▸ GRM2 Q14416 2/20 0.36
▸ CHRM5 P08912 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 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
SCHEMBL17172159 0.90 ALOX5AP (0.42) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17157397 0.89 SCN5A (0.41) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17157518 0.89 ALOX5AP (0.47) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17172284 0.89 KMT2A (0.40) ALOX5APFEN1CYP2C19
SCHEMBL17172272 0.89 ALOX5AP (0.43) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17172327 0.88 CYP3A4 (0.40) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17157449 0.87 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19ABL1
SCHEMBL17172279 0.86 ALOX5AP (0.42) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17172328 0.85 ALOX5AP (0.43) ALOX5APFEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17172286 0.85 CYP19A1 (0.39) ALOX5APFEN1CYP3A4CYP2C9CYP2C19

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 ALOX5AP 2442/4885FEN1 753/4885CYP3A4 89/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ALOX5AP 2442/4885FEN1 753/4885CYP3A4 89/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM ALOX5AP 2442/4885FEN1 753/4885CYP3A4 89/4885

“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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