SCHEMBL2115397

SCHEMBL2115397

O=C(NO)c1ccc2c(=O)[nH]c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
PARP1 P09874 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
HDAC8 Q9BY41 2/20 0.42
IMPDH2 P12268 1/20 0.42
SMYD3 Q9H7B4 1/20 0.42
HDAC1 Q13547 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL23201263 0.86 PARP1 (0.47) PARP1HDAC6KDM4ECA12CA9
SCHEMBL30882649 0.86 PARP1 (0.47) PARP1HDAC6KDM4ECA12CA9
SCHEMBL1084591 0.81 PARP1 (0.66) PARP1KDM4ECA12CA9CSNK2A2
SCHEMBL29935457 0.80 PARP1 (0.60) PARP1KDM4ECA12CA9CSNK2A2
SCHEMBL3260502 0.80 PARP1 (0.60) PARP1KDM4ECA12CA9CSNK2A2
SCHEMBL31042188 0.79 PARP1 (0.69) PARP1KDM4ECSNK2A1
SCHEMBL938618 0.79 PARP1 (0.69) PARP1KDM4ECSNK2A1
SCHEMBL2116506 0.76 HTR3A (0.62) KDM4E
SCHEMBL7034299 0.74 PARP1 (0.48) PARP1KDM4ECA12CA9CSNK2A2
SCHEMBL19029369 0.73 HDAC6 (0.47) HDAC6HDAC8HDAC1

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
WO-2012054332-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-26 WO 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 XDH 795/4885PARP1 383/4885HDAC6 1/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 XDH 795/4885PARP1 383/4885HDAC6 1/4885

“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.