SCHEMBL2412581

SCHEMBL2412581

Cc1ccc(N(CC=Cc2ccccc2)CCc2csc(SC(C)(C)C(=O)O)n2)nc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC2 Q92769 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
PPARA Q07869 1/20 0.31
DHFR P00374 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LNPEP Q9UIQ6 1/20 0.30

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
SCHEMBL2412577 1.00 HDAC1 (0.33) HDAC1HDAC6HDAC2HDAC9HDAC3
SCHEMBL2411036 0.91 PPARA (0.37) HDAC1HDAC6HDAC2HDAC9HDAC3
SCHEMBL2411034 0.91 PPARA (0.37) HDAC1HDAC6HDAC2HDAC9HDAC3
SCHEMBL2416307 0.84 PPARA (0.34) HDAC1HDAC6HDAC2HDAC9HDAC3
SCHEMBL2416305 0.84 PPARA (0.34) HDAC1HDAC6HDAC2HDAC9HDAC3
SCHEMBL2413522 0.81 HDAC1 (0.33) HDAC1HDAC6HDAC2HDAC9HDAC3
SCHEMBL2415253 0.79 ERCC5 (0.35) ALDH1A1
SCHEMBL2414732 0.78 PPARA (0.38) HDAC1HDAC6PPARA
SCHEMBL2417449 0.77 HDAC1 (0.34) HDAC1HDAC6PPARAALDH1A1
SCHEMBL2415971 0.77 PPARA (0.37) HDAC1HDAC6PPARA

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
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG HDAC1 454/4885HDAC6 413/4885HDAC2 555/4885

“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.