SCHEMBL4550117

SCHEMBL4550117

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.65
HDAC8 Q9BY41 6/20 0.65
TNKS O95271 5/20 0.59
TNKS2 Q9H2K2 4/20 0.59
WNT3A P56704 1/20 0.59
HDAC1 Q13547 5/20 0.55
HDAC3 O15379 4/20 0.55
HDAC2 Q92769 2/20 0.55
PARP1 P09874 2/20 0.49
HPGD P15428 1/20 0.47
PTGES O14684 1/20 0.47
PARP2 Q9UGN5 1/20 0.46
CHEK2 O96017 1/20 0.46

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
SCHEMBL2619394 0.88 HDAC6 (0.56) HDAC6HDAC8TNKSTNKS2WNT3A
SCHEMBL29893342 0.85 TNKS (0.63) HDAC6HDAC8TNKSTNKS2WNT3A
SCHEMBL2116150 0.85 HDAC6 (0.66) HDAC6HDAC8TNKSTNKS2HDAC1
SCHEMBL2117076 0.84 HDAC6 (0.77) HDAC6HDAC8TNKSTNKS2HDAC1
SCHEMBL18229520 0.82 HDAC6 (0.78) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL2611485 0.82 HDAC6 (0.62) HDAC6HDAC8TNKSHDAC1HDAC3
SCHEMBL2120492 0.82 HDAC6 (0.62) HDAC6HDAC8TNKSTNKS2HDAC1
SCHEMBL18229483 0.81 HDAC6 (0.77) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL2115413 0.81 HDAC6 (0.67) HDAC6HDAC8TNKSHDAC1HDAC3
SCHEMBL10275581 0.78 TNKS (0.67) TNKSTNKS2WNT3APARP1PTGES

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 14/4885TNKS 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.