SCHEMBL567523

SCHEMBL567523

CC(N)CCN(CC(O[SiH](C)C)C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA14 Q9ULX7 1/20 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
SCHEMBL567598 0.90 CA14 (0.31) HDAC6HDAC1HDAC2CA14
SCHEMBL567545 0.90 CA14 (0.31) HDAC6HDAC1HDAC2CA14
SCHEMBL567047 0.81
SCHEMBL27854137 0.79 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL567227 0.79 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL566482 0.79 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL566483 0.79 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL567228 0.79 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14
SCHEMBL567758 0.72 CA14 (0.47) HDAC6HDAC1HDAC2CA14
SCHEMBL567791 0.72 CA14 (0.47) HDAC6HDAC1HDAC2CA14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 EP disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 HDAC6 1027/4885HDAC1 1159/4885HDAC2 878/4885

“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.