SCHEMBL12746168

SCHEMBL12746168

CNOCc1c(C)sc2cc(O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.36
▸ ESR2 Q92731 3/20 0.36
▸ F2 P00734 4/20 0.33
▸ APP P05067 3/20 0.32
▸ MAPT P10636 1/20 0.31
▸ SULT1A1 P50225 1/20 0.31
▸ HDAC3 O15379 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ NCOR2 Q9Y618 2/20 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
SCHEMBL8289975 0.79 ESR1 (0.39) ESR1ESR2
SCHEMBL5196415 0.71 ESR1 (0.43) ESR1ESR2
SCHEMBL5244202 0.68 ESR1 (0.48) ESR1ESR2HDAC3HDAC1HDAC2
SCHEMBL5241179 0.68 ESR1 (0.48) ESR1ESR2MAPT
SCHEMBL29980342 0.66 HTT (0.44) ESR1ESR2MAPT
SCHEMBL3874783 0.66 HTT (0.44) ESR1ESR2MAPT
SCHEMBL1616936 0.65 ESR1 (0.51) ESR1ESR2HDAC3HDAC1HDAC2
SCHEMBL20708908 0.65 ESR1 (0.38) ESR1ESR2
SCHEMBL15211201 0.65 HTT (0.45) ESR1ESR2MAPT
SCHEMBL5038858 0.65 ESR1 (0.45) ESR1ESR2

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-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 — — US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 — — US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 — — 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-20090069316-A1 NOVEL QUINOLINE DERIVATIVES COQ8B, COQ8A, MCM5 ESR1 2896/4885ESR2 3326/4885F2 1711/4885

“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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