SCHEMBL10263306

SCHEMBL10263306

COc1ccc(Nc2nc3cc(C(=O)NO)ccc3c(=O)n2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.56
CYP3A4 P08684 4/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HDAC8 Q9BY41 2/20 0.45
APP P05067 1/20 0.45
ACHE P22303 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL2611225 0.92 HDAC6 (0.56) HDAC6CYP3A4NPC1RAB9AHDAC3
SCHEMBL10261201 0.78 HDAC6 (0.50) HDAC6HDAC3HDAC1HDAC2MAPT
SCHEMBL2119122 0.75 HDAC6 (0.49) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19029739 0.72 HDAC6 (1.00) HDAC6HDAC1HDAC8
SCHEMBL4550106 0.72 HDAC6 (0.49) HDAC6CYP3A4HDAC3HDAC1HDAC2
SCHEMBL2117506 0.72 CYP3A4 (0.53) HDAC6CYP3A4NPC1RAB9AHDAC3
SCHEMBL19029239 0.71 HDAC6 (0.77) HDAC6HDAC3HDAC1HDAC2MAPT
SCHEMBL19058680 0.71 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2120492 0.70 HDAC6 (0.62) HDAC6NPC1RAB9AHDAC3HDAC1
SCHEMBL18229525 0.70 HDAC6 (0.74) HDAC6HDAC3HDAC1HDAC2CA1

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 4 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-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 1/4885CYP3A4 3962/4885NPC1 3585/4885
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HDAC6 1/4885CYP3A4 3962/4885NPC1 3585/4885

“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.