SCHEMBL21229048

SCHEMBL21229048

Nc1ccc(-c2ncc(CNC(=O)O)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.49
HDAC3 O15379 6/20 0.49
HDAC6 Q9UBN7 4/20 0.47
NAMPT P43490 4/20 0.45
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HIF1A Q16665 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
PPARA Q07869 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL21229063 0.88 NAMPT (0.45) HDAC1HDAC3HDAC6NAMPTHDAC2
SCHEMBL21229053 0.88 HDAC1 (0.51) HDAC1HDAC3HDAC6NAMPTHDAC2
SCHEMBL21229129 0.87 NAMPT (0.44) HDAC1HDAC3HDAC6NAMPTHDAC2
SCHEMBL21229087 0.87 PTPN11 (0.46) HDAC1HDAC3HDAC6NAMPTHDAC2
SCHEMBL21229077 0.85 HDAC1 (0.45) HDAC1HDAC3HDAC6NAMPTHDAC2
SCHEMBL21229056 0.84 NAMPT (0.38) HDAC1HDAC3HDAC6NAMPTHDAC2
SCHEMBL21229107 0.83 HDAC1 (0.43) HDAC1HDAC3HDAC6NAMPTHDAC2
SCHEMBL21229130 0.83 CSNK2A2 (0.52) HDAC1HDAC3HDAC6HDAC2HDAC8
SCHEMBL21229041 0.83 EGLN1 (0.44) HDAC1HDAC3HDAC6NAMPT
SCHEMBL21229137 0.82 XDH (0.49) HDAC1NAMPTHDAC2PPARA

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-10377748-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2019-08-13 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-10377748-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS HDAC1 2819/4885HDAC3 2399/4885HDAC6 2377/4885

“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.