SCHEMBL823628

SCHEMBL823628

CN(C)c1ccc(NC(=O)CCCCCNC(=O)c2ccccc2SSc2ccccc2C(=O)NCCCCCC(=O)Nc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.56
HDAC1 Q13547 14/20 0.56
HDAC4 P56524 10/20 0.56
HDAC7 Q8WUI4 10/20 0.56
HDAC2 Q92769 10/20 0.56
HDAC10 Q969S8 10/20 0.56
HDAC11 Q96DB2 10/20 0.56
HDAC8 Q9BY41 10/20 0.56
HDAC6 Q9UBN7 10/20 0.56
HDAC9 Q9UKV0 10/20 0.56
HDAC5 Q9UQL6 10/20 0.56
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL823701 0.87 HDAC1 (0.60) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL823581 0.86 HDAC3 (0.59) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL3628927 0.83 HDAC1 (0.69) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL823572 0.78 HDAC3 (0.58) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL10789563 0.74 HPGD (0.78) ALDH1A1SMN1; SMN2HPGD
SCHEMBL14627718 0.74 HDAC8 (0.62) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL823580 0.72 HDAC1 (0.74) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL823655 0.72 HDAC4 (0.65) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL1367030 0.72 HDAC1 (1.00) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL823656 0.72 HDAC4 (0.65) HDAC3HDAC1HDAC4HDAC7HDAC2

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-8143445-B2 HDAC inhibitors LIXTE BIOTECHNOLOGY, INC. (US) 2012-03-27 US disclosed
US-20090143445-A1 HDAC Inhibitors JOHN P. WHITE, ESQ 2009-06-04 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-20090143445-A1 HDAC Inhibitors HDAC3, HDAC7, HDAC4 HDAC3 1/4885HDAC1 6/4885HDAC4 3/4885

“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.