SCHEMBL823580

SCHEMBL823580

CN(C)c1ccc(NC(=O)CCCCCN)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.74
HDAC2 Q92769 9/20 0.74
HDAC3 O15379 9/20 0.74
HDAC6 Q9UBN7 8/20 0.74
HDAC10 Q969S8 8/20 0.74
HDAC11 Q96DB2 7/20 0.74
HDAC8 Q9BY41 7/20 0.74
HDAC4 P56524 6/20 0.74
HDAC7 Q8WUI4 6/20 0.74
HDAC9 Q9UKV0 6/20 0.74
HDAC5 Q9UQL6 6/20 0.74
MAPT P10636 3/20 0.62
NPC1 O15118 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 2/20 0.62
RAB9A P51151 2/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62

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
Hydrochloric Acid SCHEMBL27967111 0.98 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL4396208 0.87 MAPT (0.64) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL22871621 0.84 HDAC3 (0.73) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL17826588 0.84 SIRT2 (0.63)
SCHEMBL16016606 0.84 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL14147975 0.83 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL10362398 0.81 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL7813937 0.81 MAPT (0.69) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL7373555 0.81 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC6HDAC10
SCHEMBL23798902 0.80 HDAC3 (0.72) HDAC1HDAC2HDAC3HDAC6HDAC10

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
EP-2200439-B1 HDAC INHIBITORS LIXTE BIOTECHNOLOGY INC (US) 2017-03-22 EP disclosed
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 HDAC1 6/4885HDAC2 8/4885HDAC3 1/4885

“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.