SCHEMBL17068765

SCHEMBL17068765

CC(=O)CCSc1nc(-c2ccccc2)cc(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC3 O15379 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
ALDH1A1 P00352 3/20 0.62
GAA P10253 2/20 0.61
KMT2A Q03164 1/20 0.59
POLB P06746 1/20 0.58
ACMSD Q8TDX5 1/20 0.58
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL17068801 0.90 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL18477561 0.79 HDAC1 (0.82) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL24211530 0.78 ALDH1A1 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL18495059 0.78 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL24211717 0.78 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL26039905 0.76 ALDH1A1 (0.70) ALDH1A1GAAKMT2APOLBHTT
SCHEMBL6977299 0.74 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL17548489 0.73 ACMSD (1.00) HDAC1ALDH1A1GAAKMT2AACMSD
SCHEMBL6969616 0.73 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL26063924 0.73 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC2HDAC10

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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS RHOA, ARHGEF1, ARHGEF2 HDAC1 806/4885HDAC6 624/4885HDAC3 718/4885

“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.