SCHEMBL7917993

SCHEMBL7917993

O=C(CCCCCCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCBr)CCBr)NO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.52
HDAC6 Q9UBN7 11/20 0.52
HDAC3 O15379 9/20 0.52
HDAC2 Q92769 9/20 0.52
HDAC8 Q9BY41 9/20 0.52
HDAC4 P56524 8/20 0.52
HDAC7 Q8WUI4 8/20 0.52
HDAC10 Q969S8 8/20 0.52
HDAC11 Q96DB2 8/20 0.52
HDAC9 Q9UKV0 8/20 0.52
HDAC5 Q9UQL6 8/20 0.52
LTA4H P09960 1/20 0.40
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL18082003 0.91 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL18082010 0.91 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL12104176 0.90 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7917416 0.90 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7921019 0.90 HDAC1 (0.43) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3581644 0.88 KMT2A (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2364444 0.88 KMT2A (0.41) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL2354639 0.87 KMT2A (0.42) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3568621 0.86 KMT2A (0.43) MEN1HPGDKMT2ANPSR1
SCHEMBL5674620 0.83 KMT2A (0.43) MEN1HPGDKMT2ANPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46144-E1 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2016-09-13 US disclosed
US-9096627-B2 Hydroxamic acid derivatives PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2015-08-04 US disclosed
US-20140066419-A1 HYDROXAMIC ACID DERIVATIVES PURDUE PHARMACEUTICAL PRODUCTS L.P. (US) 2014-03-06 US disclosed
US-20110269706-A1 Hydroxamic Acid Derivatives NORTHLAKE BIOSCIENCES LLC (US) 2011-11-03 US disclosed
WO-2010085377-A2 HYDROXAMIC ACID DERIVATIVES CRYSTAL BIOPHARMACEUTICAL LLC (US) 2010-07-29 WO 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-20140066419-A1 HYDROXAMIC ACID DERIVATIVES HDAC5, HDAC7, HDAC4 HDAC1 4/4885HDAC6 7/4885HDAC3 10/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 HDAC1 7/4885HDAC6 12/4885HDAC3 29/4885

“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.