SCHEMBL17157462

SCHEMBL17157462

CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2ccc(OCC(F)(F)F)nc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DGAT1 O75907 10/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL17157474 0.89 CYP3A4 (0.45) DGAT1CYP1A2TRPV3CYP3A4CYP2C9
SCHEMBL17172244 0.86 PIK3CA (0.39) TRPV3
SCHEMBL17172300 0.85 L3MBTL1 (0.40) L3MBTL1DGAT1CYP1A2MAPTNPSR1
SCHEMBL17171934 0.85 DGAT1 (0.43) L3MBTL1DGAT1CYP1A2NPSR1TRPV3
SCHEMBL17177027 0.84 DGAT1 (0.36) L3MBTL1DGAT1CYP1A2MAPTNPSR1
SCHEMBL17172334 0.84 DGAT1 (0.36) L3MBTL1DGAT1CYP1A2MAPTNPSR1
SCHEMBL17172360 0.84 CYP1A2 (0.38) L3MBTL1DGAT1CYP1A2NPSR1TRPV3
SCHEMBL17172207 0.84 CYP17A1 (0.41) L3MBTL1DGAT1CYP1A2MAPTNPSR1
SCHEMBL17172235 0.84 CYP19A1 (0.47) CYP3A4
SCHEMBL17172314 0.83 L3MBTL1 (0.39) L3MBTL1DGAT1CYP1A2NPSR1TRPV3

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 9 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-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 L3MBTL1 2652/4885DGAT1 1646/4885CYP1A2 22/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM L3MBTL1 2652/4885DGAT1 1646/4885CYP1A2 22/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM L3MBTL1 2652/4885DGAT1 1646/4885CYP1A2 22/4885

“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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