SCHEMBL17157392

SCHEMBL17157392

CC(C)(C)C(O)(c1cccnc1)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.44
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ABL1 P00519 4/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CYP3A4 P08684 5/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ CYP3A5 P20815 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ DAGLB Q8NCG7 1/20 0.38
▸ DAGLA Q9Y4D2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ NAMPT P43490 1/20 0.37

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
SCHEMBL17172278 0.89 NPY5R (0.41) NPY5RNPC1RAB9AABL1OPRM1
SCHEMBL17172271 0.87 ABL1 (0.40) NPY5RABL1CYP3A4CYP11B1CYP11B2
SCHEMBL17172272 0.87 ALOX5AP (0.43) NPY5RABL1KCNH2CYP3A4CYP2C9
SCHEMBL17157449 0.87 CYP3A4 (0.43) ABL1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL17171913 0.87 CYP3A4 (0.45) NPY5RNPC1RAB9AABL1OPRM1
SCHEMBL20609630 0.87 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP3A5KIF11
SCHEMBL17172223 0.85 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19CYP3A5KIF11
SCHEMBL17172273 0.85 ABL1 (0.39) ABL1KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL17172324 0.85 NPC1 (0.44) NPY5RNPC1RAB9AABL1OPRM1
SCHEMBL17172269 0.83 SCN10A (0.41) ABL1KCNH2CYP3A4CYP2C9CYP2C19

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 NPY5R 3749/4885NPC1 799/4885RAB9A 2842/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM NPY5R 3749/4885NPC1 799/4885RAB9A 2842/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM NPY5R 3749/4885NPC1 799/4885RAB9A 2842/4885

“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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