SCHEMBL2116150

SCHEMBL2116150

O=C(NO)c1ccc2c(=O)[nH]c(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.66
HDAC8 Q9BY41 5/20 0.66
TNKS O95271 3/20 0.56
TNKS2 Q9H2K2 2/20 0.56
GUSB P08236 1/20 0.56
PARP2 Q9UGN5 1/20 0.56
HDAC3 O15379 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 2/20 0.52
HPGD P15428 1/20 0.49
CHEK2 O96017 3/20 0.48
KDR P35968 1/20 0.48
PARP1 P09874 1/20 0.47

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
SCHEMBL2117076 0.88 HDAC6 (0.77) HDAC6HDAC8TNKSTNKS2GUSB
SCHEMBL2611485 0.85 HDAC6 (0.62) HDAC6HDAC8TNKSGUSBHDAC3
SCHEMBL2120492 0.85 HDAC6 (0.62) HDAC6HDAC8TNKSTNKS2GUSB
SCHEMBL4550117 0.85 HDAC6 (0.65) HDAC6HDAC8TNKSTNKS2PARP2
SCHEMBL17942020 0.84 TNKS (0.67) HDAC6HDAC8TNKSTNKS2GUSB
SCHEMBL2115413 0.83 HDAC6 (0.67) HDAC6HDAC8TNKSGUSBHDAC3
SCHEMBL18229590 0.81 HDAC6 (0.79) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL2116074 0.81 GUSB (0.61) HDAC6HDAC8GUSBHDAC3HDAC1
SCHEMBL2117471 0.80 MAPT (0.60) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL2118741 0.78 HDAC6 (0.57) HDAC6HDAC8HDAC3HDAC1HDAC2

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
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 14/4885TNKS 829/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC8 14/4885TNKS 829/4885

“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.