SCHEMBL20609628

SCHEMBL20609628

CCOc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.38
▸ CHRNA7 P36544 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ NPC1 O15118 2/20 0.35

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
SCHEMBL17172233 0.87 CYP19A1 (0.42) LMNAHTTCYP19A1KMT2ACYP3A4
SCHEMBL17157474 0.87 CYP3A4 (0.45) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20052093 0.84 SYK (0.32) —
SCHEMBL17172238 0.84 MAP4K4 (0.39) ACACBCYP19A1
SCHEMBL17157449 0.84 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19
SCHEMBL17172248 0.84 CYP19A1 (0.37) CYP19A1CYP3A4
SCHEMBL17172203 0.83 ALOX5AP (0.35) ACACBKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL17196173 0.83 CYP19A1 (0.47) ALDH1A1CYP19A1MEN1KMT2A
SCHEMBL17172249 0.83 ATM (0.41) CYP19A1CYP3A4CYP2C9
SCHEMBL17172234 0.83 KIF11 (0.43) KDM4EMAPTALDH1A1RAB9ASMN1; SMN2

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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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 ACACB 1922/4885CHRNA7 3423/4885KDM4E 2055/4885

“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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