SCHEMBL20163293

SCHEMBL20163293

NC(=O)C(CCCC(=O)Nc1ccccc1)c1ccc(CC(=O)NO)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.55
HDAC8 Q9BY41 14/20 0.55
HDAC6 Q9UBN7 14/20 0.55
HDAC3 O15379 13/20 0.55
HDAC2 Q92769 13/20 0.55
HDAC4 P56524 10/20 0.55
HDAC7 Q8WUI4 10/20 0.55
HDAC11 Q96DB2 10/20 0.55
HDAC9 Q9UKV0 10/20 0.55
HDAC5 Q9UQL6 10/20 0.55
HDAC10 Q969S8 9/20 0.55
LTA4H P09960 2/20 0.52
KDM4E B2RXH2 1/20 0.52
BRD4 O60885 1/20 0.52
NCOR1 O75376 1/20 0.52
NR1I2 O75469 1/20 0.52
EGFR P00533 1/20 0.52
CYP3A4 P08684 1/20 0.52
NR0B1 P51843 1/20 0.52
PLK1 P53350 1/20 0.52

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
SCHEMBL20163296 0.95 HDAC8 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL20163304 0.86 HDAC1 (0.60) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL18256331 0.81 HDAC8 (0.73) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1058606 0.81 HDAC8 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL18256339 0.80 HDAC1 (0.77) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1064490 0.80 HDAC8 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL15441220 0.78 HDAC2 (0.61) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1064045 0.77 L3MBTL1 (0.59) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL31390534 0.76 HDAC1 (0.54) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL1064950 0.73 HDAC4 (0.64) HDAC1HDAC8HDAC6HDAC3HDAC2

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 643/4885HDAC8 470/4885HDAC6 365/4885

“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.