SCHEMBL2117660

SCHEMBL2117660

O=C(NO)c1ccc2ccn(C3CCCCCC3)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC1 Q13547 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
ADAM17 P78536 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC10 Q969S8 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2611288 0.99 SCN5A (0.42) SCN5ASCN9AHDAC8HDAC6HDAC1
SCHEMBL2119132 0.96 SCN5A (0.39) SCN5ASCN9AHDAC8HDAC6HDAC1
SCHEMBL2118279 0.76 PDE4A (0.42) HDAC8HDAC6HDAC1HDAC3HDAC10
SCHEMBL2120052 0.76 HDAC6 (0.41) HDAC8HDAC6HDAC1MEN1LMNA
SCHEMBL2611403 0.75 HDAC6 (0.44) HDAC8HDAC6HDAC1HDAC3HDAC10
SCHEMBL2611404 0.74 ROCK2 (0.42) HDAC8HDAC6HDAC1HDAC3HDAC10
SCHEMBL2118885 0.73 MEN1 (0.42) HDAC8HDAC6HDAC1MEN1KMT2A
SCHEMBL2116922 0.72 HDAC6 (0.47) HDAC8HDAC6HDAC1ALDH1A1MEN1
SCHEMBL7237013 0.72 GAA (0.46) ALDH1A1MEN1KMT2AKDM4EALOX15
SCHEMBL2117453 0.71 HDAC6 (0.41) HDAC8HDAC6HDAC1HDAC3HDAC10

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 10 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-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
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 SCN5A 2505/4885SCN9A 3268/4885HDAC8 14/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 SCN5A 2505/4885SCN9A 3268/4885HDAC8 14/4885

“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.