SCHEMBL2116481

SCHEMBL2116481

Nc1nc2cc(C(=O)NO)ccc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.50
HDAC8 Q9BY41 2/20 0.50
QTRT1 Q9BXR0 1/20 0.50
HDAC1 Q13547 2/20 0.47
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
MAPK14 Q16539 1/20 0.46
TYMS P04818 7/20 0.43
DYRK1A Q13627 1/20 0.42

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
SCHEMBL2118977 0.83 HDAC6 (0.50) HDAC6HDAC8HDAC1KDM4ERECQL
SCHEMBL2117452 0.82 KDM4E (0.54) QTRT1KDM4ERECQLTYMS
SCHEMBL2619363 0.80 HDAC6 (0.47) HDAC6HDAC8HDAC1KDM4ERECQL
SCHEMBL2117076 0.79 HDAC6 (0.77) HDAC6HDAC8HDAC1
SCHEMBL2115685 0.77 KDM4E (0.52) HDAC6HDAC8HDAC1KDM4ERECQL
SCHEMBL2116150 0.77 HDAC6 (0.66) HDAC6HDAC8HDAC1
SCHEMBL2619345 0.77 HDAC6 (0.46) HDAC6HDAC8HDAC1KDM4ERECQL
SCHEMBL2120725 0.76 HDAC6 (0.44) HDAC6HDAC8HDAC1KDM4ERECQL
SCHEMBL2118710 0.76 HDAC6 (0.46) HDAC6HDAC8HDAC1KDM4ERECQL
SCHEMBL4550162 0.76 KDM4E (0.55) HDAC6HDAC8HDAC1KDM4ERECQL

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 HDAC6 1/4885HDAC8 14/4885QTRT1 1083/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC8 14/4885QTRT1 1083/4885

“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.