SCHEMBL828397

SCHEMBL828397

CCCCCCC(NC(=O)c1ccccc1S)C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.56
MMP3 P08254 1/20 0.56
MMP9 P14780 1/20 0.56
SIRT2 Q8IXJ6 9/20 0.52
SIRT1 Q96EB6 6/20 0.52
SIRT3 Q9NTG7 3/20 0.52
EHMT2 Q96KQ7 2/20 0.48
HDAC8 Q9BY41 8/20 0.47
HDAC3 O15379 6/20 0.47
HDAC6 Q9UBN7 6/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47

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
SCHEMBL830075 0.95 EHMT2 (0.52) MMP1MMP3MMP9SIRT2SIRT1
SCHEMBL10064039 0.86 EHMT2 (0.44) MMP1MMP3MMP9EHMT2
SCHEMBL830079 0.84 HDAC3 (0.47) MMP1MMP3MMP9EHMT2HDAC8
SCHEMBL829775 0.83 EHMT2 (0.54) EHMT2HDAC8HDAC3HDAC6HDAC1
SCHEMBL830026 0.83 EHMT2 (0.46) MMP1MMP3MMP9EHMT2
SCHEMBL29193437 0.82 MMP1 (0.59) MMP1MMP3MMP9SIRT2SIRT1
SCHEMBL10064199 0.82 EHMT2 (0.47) MMP1MMP3MMP9SIRT2SIRT1
SCHEMBL830001 0.81 EHMT2 (0.50) MMP1MMP3MMP9SIRT2SIRT1
SCHEMBL11252054 0.81 MMP1 (0.57) MMP1MMP3MMP9SIRT2SIRT1
SCHEMBL23454666 0.78 MEN1 (0.58) MMP1MMP3MMP9SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178783-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY, INC. 2012-07-12 US disclosed
US-8143445-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2012-03-27 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-20120178783-A1 HDAC INHIBITORS HDAC3, HDAC4, HDAC7 MMP1 1804/4885MMP3 472/4885MMP9 1572/4885

“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.