SCHEMBL7905802

SCHEMBL7905802

O=C(CCCCCCC(=O)Nc1nc(=O)[nH]cc1F)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.49
HDAC2 Q92769 18/20 0.49
HDAC6 Q9UBN7 12/20 0.49
HDAC3 O15379 12/20 0.49
HDAC8 Q9BY41 14/20 0.46
HDAC5 Q9UQL6 7/20 0.46
HDAC11 Q96DB2 7/20 0.46
HDAC10 Q969S8 7/20 0.46
HDAC4 P56524 6/20 0.46
HDAC7 Q8WUI4 6/20 0.46
HDAC9 Q9UKV0 6/20 0.46
NCOR2 Q9Y618 3/20 0.44
KDM4E B2RXH2 1/20 0.44
BRD4 O60885 1/20 0.44
NCOR1 O75376 1/20 0.44
NR1I2 O75469 1/20 0.44
EGFR P00533 1/20 0.44
CYP3A4 P08684 1/20 0.44
LTA4H P09960 1/20 0.44
NR0B1 P51843 1/20 0.44

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
SCHEMBL18325610 0.87 XDH (0.50)
SCHEMBL18325670 0.87 XDH (0.39) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL7052872 0.81 ADORA2A (0.44)
SCHEMBL12104083 0.74 HDAC1 (0.43) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL1225985 0.72 GDA (0.36)
SCHEMBL31635252 0.69 HDAC1 (0.62) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL15480424 0.68 HDAC1 (0.64) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL15480418 0.68 HDAC1 (0.56) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL15480421 0.68 HDAC1 (0.59) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL21184198 0.68 CYP3A4 (0.71) HDAC1HDAC2HDAC6HDAC3HDAC8

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 4/4885HDAC2 8/4885HDAC6 7/4885
US-20110269706-A1 Hydroxamic Acid Derivatives CD74, HLA-DRB1, HDAC5 HDAC1 7/4885HDAC2 15/4885HDAC6 12/4885

“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.