SCHEMBL417658

SCHEMBL417658

CNCCc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.76
HDAC1 Q13547 2/20 0.76
HDAC2 Q92769 2/20 0.76
HDAC10 Q969S8 2/20 0.76
HDAC8 Q9BY41 2/20 0.76
HDAC6 Q9UBN7 2/20 0.76
HDAC4 P56524 1/20 0.76
HDAC7 Q8WUI4 1/20 0.76
HDAC11 Q96DB2 1/20 0.76
HDAC9 Q9UKV0 1/20 0.76
HDAC5 Q9UQL6 1/20 0.76
NCOR2 Q9Y618 1/20 0.76
LMNA P02545 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 2/20 0.45

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
SCHEMBL18597368 0.91 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL443222 0.89 HDAC3 (0.80) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL417537 0.89 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL445641 0.88 HDAC6 (0.73) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL446834 0.87 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC10HDAC8
Abexinostat SCHEMBL444280 0.86 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC8
Abexinostat SCHEMBL29489677 0.86 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL14765130 0.86 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL445587 0.86 HDAC6 (0.75) HDAC3HDAC1HDAC2HDAC10HDAC8
Abexinostat SCHEMBL29544306 0.85 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186347-B1 Hydroxamates as therapeutic agents PHARMACYCLICS LLC (US) 2015-11-17 US disclosed
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS LLC 2015-11-12 US disclosed
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. 2014-10-09 US disclosed
US-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 US disclosed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 US disclosed
US-8389570-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2013-03-05 US disclosed
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2012-03-15 US disclosed
US-8026371-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2011-09-27 US disclosed
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2011-01-27 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 (5 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-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HDAC3 2/4885HDAC1 1/4885HDAC2 10/4885
US-20140301976-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HDAC3 2/4885HDAC1 1/4885HDAC2 10/4885
US-20110021528-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HDAC3 2/4885HDAC1 1/4885HDAC2 10/4885
US-20150320718-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HDAC3 2/4885HDAC1 1/4885HDAC2 10/4885
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 HDAC3 2/4885HDAC1 1/4885HDAC2 10/4885

“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.