SCHEMBL20179113

SCHEMBL20179113

Nc1ccccc1NC(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.80
HDAC3 O15379 14/20 0.80
HDAC2 Q92769 11/20 0.80
HDAC4 P56524 8/20 0.80
HDAC10 Q969S8 8/20 0.80
HDAC6 Q9UBN7 8/20 0.80
HDAC8 Q9BY41 7/20 0.80
HDAC7 Q8WUI4 6/20 0.80
HDAC11 Q96DB2 6/20 0.80
HDAC9 Q9UKV0 6/20 0.80
HDAC5 Q9UQL6 6/20 0.80
NCOR2 Q9Y618 6/20 0.80

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
SCHEMBL1902019 0.90 HDAC1 (0.97) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL30029834 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL29921577 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL1063954 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL675185 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL20163304 0.84 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL16016612 0.84 HDAC1 (0.84) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL29736959 0.84 HDAC1 (0.89) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL12125319 0.83 HDAC1 (0.83) HDAC1HDAC3HDAC2HDAC4HDAC10
SCHEMBL24881434 0.83 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC4HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2018-05-24 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-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SPINT2, SERPINB1 HDAC1 643/4885HDAC3 1104/4885HDAC2 1551/4885

“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.