SCHEMBL17157428

SCHEMBL17157428

CC(C)C(O)(c1cncnc1)c1ccc(Oc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.41
▸ CYP3A5 P20815 1/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ CYP17A1 P05093 5/20 0.40
▸ SCN9A Q15858 4/20 0.36
▸ AHR P35869 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ TTBK1 Q5TCY1 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ SCN8A Q9UQD0 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ SCN5A Q14524 1/20 0.34
▸ LMNA P02545 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
SCHEMBL17172165 0.89 ABL1 (0.36) CYP3A4CYP17A1SCN9AKCNH2SCN5A
SCHEMBL17172202 0.89 LMNA (0.46) SCN9ALIPELMNA
SCHEMBL17172215 0.87 CYP3A4 (0.55) CYP3A4CYP3A5CYP19A1CYP17A1AHR
SCHEMBL17172163 0.86 CYP19A1 (0.42) CYP3A4CYP3A5CYP19A1CYP17A1
SCHEMBL17172170 0.84 CYP3A4 (0.37) CYP3A4CYP19A1CYP17A1SCN9A
SCHEMBL17172178 0.83 CYP19A1 (0.42) CYP3A4CYP19A1CYP17A1SCN9ATTBK1
SCHEMBL17172182 0.81 CYP19A1 (0.41) CYP3A4CYP3A5CYP19A1SCN9AAHR
SCHEMBL17172197 0.79 CYP19A1 (0.37) CYP3A4CYP19A1CYP17A1LIPELMNA
SCHEMBL17172181 0.79 CYP19A1 (0.39) CYP3A4CYP3A5CYP19A1SCN9AAHR
SCHEMBL17172167 0.78 LIPE (0.37) CYP3A4CYP3A5CYP19A1CYP17A1SCN9A

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 12 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
EP-3131399-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES Dow AgroSciences LLC (US) 2017-02-22 — — EP disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO 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 89/4885CYP3A5 94/4885CYP19A1 63/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP3A4 89/4885CYP3A5 94/4885CYP19A1 63/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP3A4 89/4885CYP3A5 94/4885CYP19A1 63/4885

“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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