SCHEMBL20747682

SCHEMBL20747682

OCSC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ SLC6A9 P48067 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37

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
SCHEMBL16011845 0.78 EPHX1 (0.46) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL13263062 0.74 HDAC4 (0.47) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL30988818 0.72 CES2 (0.49) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL16419139 0.72 CES2 (0.49) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL576436 0.72 IDO1 (0.50) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL25270476 0.72 HDAC4 (0.46) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL17660052 0.72 CES2 (0.49) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL576210 0.72 IDO1 (0.55) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL16958819 0.72 HDAC4 (0.46) HDAC4HDAC7HDAC5CNR2CES2
SCHEMBL16412814 0.72 CES2 (0.49) HDAC4HDAC7HDAC5CNR2CES2

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-10208045-B2 Aza-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-02-19 — — 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-10208045-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK HDAC4 193/4885HDAC7 424/4885HDAC5 162/4885

“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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