SCHEMBL8385277

SCHEMBL8385277

Fc1cccc(-c2cccc(-c3ccncc3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 3/20 0.68
▸ CYP11B1 P15538 3/20 0.68
▸ CYP11B2 P19099 2/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ TP53 P04637 1/20 0.57
▸ TAAR1 Q96RJ0 3/20 0.55
▸ ESR2 Q92731 1/20 0.55
▸ NOTUM Q6P988 1/20 0.52
▸ MAPK13 O15264 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ MAPK12 P53778 1/20 0.51
▸ MAPK11 Q15759 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ PRKCI P41743 1/20 0.50
▸ KIF11 P52732 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ CDC7 O00311 1/20 0.48
▸ IDO1 P14902 1/20 0.47

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
SCHEMBL9387800 0.98 CYP17A1 (0.70) CYP17A1CYP11B1CYP11B2CYP3A4TP53
SCHEMBL15411832 0.86 NOTUM (0.68) CYP17A1CYP11B1CYP11B2CYP3A4NOTUM
SCHEMBL27917353 0.85 CYP17A1 (0.57) CYP17A1CYP11B1CYP11B2CYP3A4TP53
SCHEMBL12452342 0.84 NOTUM (0.65) CYP17A1CYP11B1CYP11B2CYP3A4NOTUM
SCHEMBL12070468 0.84 NOTUM (0.65) CYP17A1CYP11B1CYP11B2CYP3A4NOTUM
SCHEMBL23729172 0.84 NOTUM (0.65) CYP17A1CYP11B1CYP11B2CYP3A4NOTUM
SCHEMBL14425853 0.84 NOTUM (0.65) CYP17A1CYP11B1CYP11B2CYP3A4NOTUM
SCHEMBL16605626 0.83 TAAR1 (0.65) CYP17A1CYP11B1CYP11B2CYP3A4TAAR1
SCHEMBL16605628 0.83 TAAR1 (0.65) CYP17A1CYP11B1CYP11B2CYP3A4TAAR1
SCHEMBL29628985 0.83 TAAR1 (0.65) CYP17A1CYP11B1CYP11B2CYP3A4TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION WYETH (US) 2009-02-12 — — US disclosed
US-7452885-B2 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for β-secretase modulation WYETH (US) 2008-11-18 — — US disclosed
US-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation WYETH (US) 2007-01-04 — — 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-20070004730-A1 Amino-5-(6-membered)heteroarylimidazolone compounds and the use thereof for beta-secretase modulation BACE1, BACE2, APP CYP17A1 883/4885CYP11B1 1665/4885CYP11B2 2183/4885
US-20090042908-A1 AMINO-5-(6-MEMBERED)HETEROARYLIMIDAZOLONE COMPOUNDS AND THE USE THEREOF FOR BETA-SECRETASE MODULATION BACE1, BACE2, APP CYP17A1 883/4885CYP11B1 1665/4885CYP11B2 2183/4885

“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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