SCHEMBL17172184

SCHEMBL17172184

CCC(O)(c1cncnc1)c1ccc(Oc2ccc(Cl)nc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.37
▸ DGAT1 O75907 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHRNA3 P32297 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
SCHEMBL17157524 0.90 CYP19A1 (0.46) CYP19A1
SCHEMBL17172182 0.84 CYP19A1 (0.41) CYP19A1
SCHEMBL17172213 0.84 L3MBTL1 (0.37) CYP19A1
SCHEMBL17172198 0.83 CYP19A1 (0.39) CYP19A1MAPT
SCHEMBL17172180 0.83 CCR6 (0.38) —
SCHEMBL17172170 0.80 CYP3A4 (0.37) CYP19A1
SCHEMBL17172199 0.80 RAB9A (0.38) CYP19A1MAPT
SCHEMBL17172186 0.78 CYP19A1 (0.32) CYP19A1
SCHEMBL17172166 0.77 CYP19A1 (0.51) CYP19A1CHRNA3
SCHEMBL17172174 0.75 CYP19A1 (0.40) CYP19A1

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 63/4885DGAT1 1646/4885GRM4 1551/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885DGAT1 1646/4885GRM4 1551/4885

“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.

Send feedback