SCHEMBL22487802

SCHEMBL22487802

CN1C(=O)N2Cc3c(c4cccnc4n3Cc3ccc(C(=O)NO)cc3)C(C2)C1=S

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 20/20 0.76
▸ HDAC8 Q9BY41 15/20 0.76
▸ HDAC2 Q92769 15/20 0.76
▸ HDAC1 Q13547 3/20 0.63
▸ HDAC11 Q96DB2 2/20 0.63
▸ HDAC3 O15379 2/20 0.63
▸ HDAC4 P56524 1/20 0.63
▸ HDAC7 Q8WUI4 1/20 0.63
▸ HDAC10 Q969S8 1/20 0.63
▸ HDAC5 Q9UQL6 1/20 0.63
▸ NCOR2 Q9Y618 1/20 0.63

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
SCHEMBL17520548 0.92 HDAC6 (0.75) HDAC6HDAC8HDAC2HDAC1HDAC11
SCHEMBL17520639 0.86 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC11
SCHEMBL20629506 0.82 HDAC6 (0.62) HDAC6HDAC8HDAC2HDAC1HDAC11
SCHEMBL24011820 0.78 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC11
SCHEMBL17520565 0.78 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC11
SCHEMBL19138916 0.78 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC11
SCHEMBL17520433 0.77 HDAC6 (0.82) HDAC6HDAC8HDAC2HDAC1HDAC11
SCHEMBL20634778 0.75 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC11
SCHEMBL19167590 0.75 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC11
SCHEMBL19138910 0.75 HDAC6 (1.00) HDAC6HDAC8HDAC2HDAC1HDAC11

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-20200308174-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2020-10-01 — — 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-20200308174-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES HDAC6, HDAC1, HDAC2 HDAC6 1/4885HDAC8 6/4885HDAC2 3/4885

“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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