SCHEMBL6516271

SCHEMBL6516271

C[C@H](c1ccccc1)n1c(-c2ccccc2)nc2cc(C(=O)NO)ccc21

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.65
HDAC1 Q13547 7/20 0.65
HDAC8 Q9BY41 5/20 0.65
HDAC3 O15379 2/20 0.59
HDAC2 Q92769 2/20 0.59
F2RL1 P55085 1/20 0.56
NAMPT P43490 1/20 0.47
RORC P51449 1/20 0.46

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
SCHEMBL6511803 0.90 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL8288510 0.81 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL21975920 0.81 HDAC6 (0.95) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL6513390 0.80 HDAC1 (0.79) HDAC6HDAC1HDAC8
SCHEMBL6513395 0.80 HDAC1 (0.79) HDAC6HDAC1HDAC8
SCHEMBL6513385 0.80 HDAC1 (0.79) HDAC6HDAC1HDAC8
SCHEMBL18229537 0.79 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL2116566 0.77 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL18229519 0.74 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL6507848 0.73 HDAC6 (0.65) HDAC6HDAC1HDAC8HDAC3HDAC2

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
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US claimed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 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-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 HDAC6 10/4885HDAC1 1/4885HDAC8 7/4885

“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.