SCHEMBL17157474

SCHEMBL17157474

CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.45
▸ CYP2C9 P11712 4/20 0.45
▸ CYP2C19 P33261 4/20 0.45
▸ CACNA1B Q00975 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ DGAT1 O75907 6/20 0.39
▸ SCN5A Q14524 1/20 0.36
▸ CYP17A1 P05093 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ GRM5 P41594 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL17157462 0.89 L3MBTL1 (0.41) CYP3A4CYP2C9CYP2C19CYP1A2DGAT1
SCHEMBL17171868 0.88 CACNA1B (0.44) CYP3A4CYP2C9CYP2C19CACNA1BDGAT1
SCHEMBL20609630 0.88 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CACNA1BCYP1A2
SCHEMBL20609628 0.87 ACACB (0.38) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL17157449 0.86 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19SCN5A
SCHEMBL17172235 0.85 CYP19A1 (0.47) CYP3A4MAP4K4CYP19A1
SCHEMBL17172244 0.85 PIK3CA (0.39) TRPV3MAP4K4CYP19A1
SCHEMBL17172233 0.84 CYP19A1 (0.42) CYP3A4DGAT1CYP17A1MAP4K4CYP19A1
SCHEMBL17172338 0.84 CYP2C9 (0.43) CYP3A4CYP2C9CYP2C19CACNA1BCYP1A2
SCHEMBL17172283 0.84 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19SCN5AMAP4K4

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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