SCHEMBL1236293

SCHEMBL1236293

NNC(=O)c1cccc(C=CC(=O)NO)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 11/20 0.80
HDAC1 Q13547 11/20 0.80
HDAC4 P56524 14/20 0.62
HDAC2 Q92769 11/20 0.62
HDAC8 Q9BY41 11/20 0.62
HDAC6 Q9UBN7 10/20 0.62
HDAC7 Q8WUI4 9/20 0.62
HDAC9 Q9UKV0 9/20 0.62
HDAC5 Q9UQL6 9/20 0.62
HDAC10 Q969S8 8/20 0.62
HDAC11 Q96DB2 8/20 0.62
MEF2D Q14814 4/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL1236290 1.00 HDAC3 (0.80) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL29392550 0.89 HDAC1 (1.00) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL29354058 0.89 HDAC1 (1.00) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL675746 0.89 HDAC1 (1.00) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL675747 0.89 HDAC1 (1.00) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL19383008 0.85 HDAC1 (0.67) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL11974531 0.85 HDAC3 (0.80) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL25049810 0.84 HDAC1 (0.74) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL392628 0.83 HDAC3 (0.77) HDAC3HDAC1HDAC4HDAC2HDAC8
SCHEMBL11984101 0.82 HDAC1 (0.76) HDAC3HDAC1HDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059657-B2 Class-and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-08-28 US disclosed
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
US-9540317-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-10 US disclosed
US-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-29 US disclosed
US-8716344-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-06 US disclosed
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUE, INC. (US) 2012-08-16 US disclosed
WO-2011019393-A2 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-02-17 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 (4 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-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 HDAC3 4/4885HDAC1 1/4885HDAC4 8/4885
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 HDAC3 4/4885HDAC1 1/4885HDAC4 8/4885
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 HDAC3 4/4885HDAC1 1/4885HDAC4 8/4885
US-10059657-B2 Class-and isoform-specific HDAC inhibitors and uses thereof HDAC1, HDAC5, HDAC6 HDAC3 4/4885HDAC1 1/4885HDAC4 8/4885

“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.