SCHEMBL567295

SCHEMBL567295

C[C@H](N)CN(CCCO)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.44
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SSTR4 P31391 1/20 0.34

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
SCHEMBL567297 1.00 CA14 (0.44) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL10135563 0.94 CA14 (0.46) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL10135562 0.94 CA14 (0.46) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL25969976 0.88 CA14 (0.41) CA14HDAC6HDAC1HDAC2
SCHEMBL15311554 0.88 CA14 (0.41) CA14HDAC6HDAC1HDAC2
SCHEMBL15311557 0.88 CA14 (0.41) CA14HDAC6HDAC1HDAC2
SCHEMBL16428936 0.87 CA14 (0.47) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL567758 0.86 CA14 (0.47) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL567791 0.86 CA14 (0.47) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL27854122 0.86 CA14 (0.47) CA14HDAC6HDAC1HDAC2TDP1

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 13 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
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
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US 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
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
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 US disclosed
WO-2010146881-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE 株式会社デ・ウエスタン・セラピテクス研究所 (JP) 2010-12-23 WO disclosed
US-20070088021-A1 4-haloisoquinoline derivative and drug containing the same D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2007-04-19 US disclosed
US-20070088021-A1 4-haloisoquinoline derivative and drug containing the same D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2007-04-19 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 (2 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-20070088021-A1 4-haloisoquinoline derivative and drug containing the same ROCK1, CIT, ROCK2 CA14 4274/4885HDAC6 829/4885HDAC1 1843/4885
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 CA14 3443/4885HDAC6 1027/4885HDAC1 1159/4885

“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.