SCHEMBL4550187

SCHEMBL4550187

O=C(NO)c1ccc2c(=O)[nH]c(C3CCNCC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.43
HDAC8 Q9BY41 3/20 0.43
CSNK2A1 P68400 2/20 0.43
CDC7 O00311 1/20 0.43
PIM1 P11309 1/20 0.43
CSNK2B P67870 1/20 0.43
HDAC1 Q13547 2/20 0.41
SMYD3 Q9H7B4 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
ROCK2 O75116 2/20 0.38
PARG Q86W56 1/20 0.38
PARP1 P09874 1/20 0.37
PBK Q96KB5 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
SCHEMBL2619345 0.91 HDAC6 (0.46) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL2118710 0.89 HDAC6 (0.46) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL4550118 0.81 KDM4E (0.47) HDAC6HDAC8HDAC1SMYD3KDM4E
SCHEMBL2611394 0.81 SMYD3 (0.49) HDAC6HDAC8HDAC1SMYD3HDAC3
SCHEMBL2611303 0.79 KDM4E (0.46) HDAC6HDAC8HDAC1SMYD3KDM4E
SCHEMBL7714086 0.78 KMT2A (0.47) CSNK2A1CDC7PIM1CSNK2BKDM4E
SCHEMBL7710641 0.78 PARP14 (0.47) CSNK2A1CDC7PIM1CSNK2BROCK2
SCHEMBL2656965 0.78 ROCK2 (0.45) KDM4ERECQLROCK2PARGPARP1
SCHEMBL2116481 0.75 HDAC6 (0.50) HDAC6HDAC8HDAC1KDM4ERECQL
SCHEMBL2118977 0.75 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC3KDM4E

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 6 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
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

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 14/4885CSNK2A1 257/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC8 14/4885CSNK2A1 257/4885

“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.