SCHEMBL829897

SCHEMBL829897

CCCCC(NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(CCCC)C(=O)Nc1cccnc1)C(=O)Nc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
EHMT2 Q96KQ7 1/20 0.52
HDAC4 P56524 6/20 0.49
MEF2D Q14814 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CTSK P43235 1/20 0.48
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC7 Q8WUI4 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 3/20 0.45
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC9 Q9UKV0 3/20 0.45
HDAC5 Q9UQL6 3/20 0.45

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
SCHEMBL830001 0.88 EHMT2 (0.50) HSD17B10EHMT2ALDH1A1
SCHEMBL829775 0.88 EHMT2 (0.54) HSD17B10EHMT2HDAC4MEF2DCTSK
SCHEMBL830564 0.80 HDAC3 (0.46) EHMT2HDAC4ALDH1A1HPGDHDAC3
SCHEMBL10308272 0.79 EHMT2 (0.49) EHMT2HDAC4MEF2DHPGDCTSK
SCHEMBL829136 0.76 CTSK (0.58) EHMT2HDAC4MEF2DCTSKLMNA
SCHEMBL830075 0.74 EHMT2 (0.52) EHMT2ALDH1A1
SCHEMBL829138 0.73 LMNA (0.58) CTSKLMNAPOLBTRPV1HTT
SCHEMBL828397 0.70 MMP1 (0.56) EHMT2HDAC4HDAC3HDAC1HDAC7
SCHEMBL21755225 0.70 LMNA (0.56) LMNAPOLBHDAC1TRPV1HTT
SCHEMBL23454666 0.70 MEN1 (0.58) HSD17B10EHMT2HDAC4ALDH1A1HDAC3

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 HSD17B10 604/4885EHMT2 88/4885HDAC4 2/4885

“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.