SCHEMBL2611441

SCHEMBL2611441

O=C(NO)c1ccc2ccn(-c3cccc(-c4ccncc4)c3)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
HDAC8 Q9BY41 3/20 0.41
KCNH2 Q12809 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
AURKA O14965 1/20 0.36
PDE4A P27815 1/20 0.36

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
SCHEMBL17502554 0.90 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2611326 0.82 ROCK2 (0.48) HDAC6HDAC1HDAC3HDAC2ROCK2
SCHEMBL2116358 0.81 HDAC6 (0.44) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL15832843 0.78 PARP1 (0.42) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2118098 0.75 SCN2B (0.44) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2611428 0.74 TSHR (0.45) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL2611437 0.74 HTR6 (0.41) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL17502560 0.73 HDAC6 (0.37) HDAC6HDAC1HDAC3HDAC8
SCHEMBL2611490 0.73 PIK3C3 (0.48)
SCHEMBL2611471 0.73 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 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 (2 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-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC3 5/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885HDAC3 5/4885

“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.