SCHEMBL17172248

SCHEMBL17172248

CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2cncnc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.37
▸ CYP2A6 P11509 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ ALOX5AP P20292 2/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP3A5 P20815 1/20 0.31

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
SCHEMBL17172257 0.90 KIF11 (0.48) CYP19A1CYP2A6KIF11CYP3A4CYP3A5
SCHEMBL17196173 0.90 CYP19A1 (0.47) CYP19A1EGLN1ALOX5APDGAT1KIF11
SCHEMBL17172249 0.90 ATM (0.41) CYP19A1DGAT1KIF11ATMCYP3A4
SCHEMBL17172234 0.90 KIF11 (0.43) CYP19A1ALOX5APDGAT1KIF11
SCHEMBL17172208 0.90 CYP19A1 (0.47) CYP19A1CYP3A4CYP3A5
SCHEMBL17172244 0.90 PIK3CA (0.39) CYP19A1
SCHEMBL17157338 0.88 CYP19A1 (0.33) CYP19A1ALOX5APDGAT1
SCHEMBL20052083 0.88 CYP19A1 (0.33) CYP19A1ALOX5APDGAT1
SCHEMBL17172250 0.88 CYP19A1 (0.46) CYP19A1CYP3A4
SCHEMBL17157445 0.87 CYP19A1 (0.38) CYP19A1ALOX5APDGAT1KIF11CYP3A4

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 63/4885CYP2A6 184/4885EGLN1 1635/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885CYP2A6 184/4885EGLN1 1635/4885

“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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