SCHEMBL17172233

SCHEMBL17172233

COc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.42
▸ ALOX5AP P20292 1/20 0.39
▸ CYP17A1 P05093 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ DGAT1 O75907 2/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 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
SCHEMBL20609628 0.87 ACACB (0.38) CYP19A1CYP3A4KMT2ALMNAHTT
SCHEMBL17157449 0.86 CYP3A4 (0.43) CYP3A4SCN10A
SCHEMBL17172248 0.86 CYP19A1 (0.37) CYP19A1ALOX5APCYP3A4DGAT1EGLN1
SCHEMBL17172203 0.85 ALOX5AP (0.35) ALOX5APCYP17A1CYP3A4
SCHEMBL17196173 0.85 CYP19A1 (0.47) CYP19A1ALOX5APKMT2ADGAT1EGLN1
SCHEMBL17172234 0.85 KIF11 (0.43) CYP19A1ALOX5APKMT2ADGAT1
SCHEMBL17172208 0.85 CYP19A1 (0.47) CYP19A1CYP17A1CYP3A4
SCHEMBL17172249 0.85 ATM (0.41) CYP19A1CYP17A1CYP3A4DGAT1
SCHEMBL17171867 0.85 CYP19A1 (0.50) CYP19A1CYP17A1CYP3A4KMT2AESR2
SCHEMBL17172284 0.85 KMT2A (0.40) CYP19A1ALOX5APCYP17A1KMT2ANPSR1

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 63/4885ALOX5AP 2442/4885CYP17A1 46/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885ALOX5AP 2442/4885CYP17A1 46/4885

“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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