SCHEMBL2118885

SCHEMBL2118885

O=C(NO)c1ccc2ccn(CC(c3ccccc3)C3CCCCC3)c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
HDAC6 Q9UBN7 6/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC8 Q9BY41 3/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
DRD4 P21917 1/20 0.36
METAP2 P50579 1/20 0.36
MAPK14 Q16539 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35

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
SCHEMBL2118317 0.79 HDAC6 (0.44) PSMB5HDAC6HDAC1HDAC8HDAC2
SCHEMBL2611460 0.77 HDAC6 (0.40) MEN1KMT2AHDAC6HDAC1HDAC8
SCHEMBL2118279 0.76 PDE4A (0.42) PSMB5PSMB2HDAC6HDAC1HDAC8
SCHEMBL2611403 0.75 HDAC6 (0.44) PSMB5HDAC6HDAC1HDAC8HDAC2
SCHEMBL2116590 0.75 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC2HDAC10
SCHEMBL2611291 0.73 AKT1 (0.42) HDAC6HDAC1HDAC8HDAC2
SCHEMBL2118763 0.73 HDAC6 (0.44) PSMB5HDAC6HDAC1HDAC8HDAC2
SCHEMBL2611215 0.73 HDAC1 (0.44) HDAC6HDAC1HDAC8HDAC2
SCHEMBL2117660 0.73 SCN5A (0.43) MEN1KMT2AHDAC6HDAC1HDAC8
SCHEMBL2116922 0.73 HDAC6 (0.47) MEN1KMT2AHDAC6HDAC1HDAC8

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 MEN1 3398/4885KMT2A 35/4885PSMB5 303/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 MEN1 3398/4885KMT2A 35/4885PSMB5 303/4885

“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.