SCHEMBL17172175

SCHEMBL17172175

OC(c1cncnc1)(c1ccc(Oc2ccc(Cl)cn2)cn1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 10/20 0.53
▸ LIPE Q05469 3/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DAGLA Q9Y4D2 1/20 0.32

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
SCHEMBL17172164 0.89 CYP19A1 (0.61) CYP19A1HRH3
SCHEMBL17172222 0.88 MAPT (0.41) CYP19A1LIPEMAPTKMT2A
SCHEMBL17172211 0.86 LIPE (0.47) CYP19A1LIPESCN9AKCNH2MAPT
SCHEMBL17172166 0.84 CYP19A1 (0.51) CYP19A1
SCHEMBL17172212 0.83 CYP19A1 (0.45) CYP19A1
SCHEMBL17172198 0.79 CYP19A1 (0.39) CYP19A1LIPEMAPTKMT2ADAGLA
SCHEMBL17172167 0.79 LIPE (0.37) CYP19A1LIPESCN9AHRH3MAPT
SCHEMBL17172173 0.78 CYP19A1 (0.50) CYP19A1LIPESCN9A
SCHEMBL17172209 0.77 CYP19A1 (0.66) CYP19A1
SCHEMBL17172168 0.77 CYP19A1 (0.46) CYP19A1SCN9AKCNH2

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP19A1 63/4885LIPE 404/4885SCN9A 988/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885LIPE 404/4885SCN9A 988/4885

“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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