SCHEMBL830079

SCHEMBL830079

CCCCC(NC(=O)c1ccccc1S)C(=O)Nc1ccc(N(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
MCL1 Q07820 1/20 0.44

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 0.89 EHMT2 (0.52) ALDH1A1MAPTMAPK1SMN1; SMN2EHMT2
SCHEMBL830564 0.87 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10064039 0.87 EHMT2 (0.44) ALDH1A1MAPTMAPK1SMN1; SMN2EHMT2
SCHEMBL828397 0.84 MMP1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL829775 0.80 EHMT2 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL830026 0.77 EHMT2 (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2EHMT2
SCHEMBL10064199 0.76 EHMT2 (0.47) HDAC1EHMT2MMP1MMP3MMP9
SCHEMBL830001 0.75 EHMT2 (0.50) ALDH1A1MAPTMAPK1SMN1; SMN2EHMT2
SCHEMBL829498 0.72 SPHK1 (0.56) ALDH1A1MAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL23454666 0.72 MEN1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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-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
WO-2009045440-A1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY HOLDINGS, INC. (US) 2009-04-09 WO 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 HDAC3 1/4885HDAC4 2/4885HDAC1 5/4885

“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.