SCHEMBL6429535

SCHEMBL6429535

COC(=O)c1ccc(Cn2c3c(c4ccccc42)CCNC3)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.76
HDAC1 Q13547 10/20 0.76
HDAC10 Q969S8 6/20 0.54
HDAC3 O15379 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
NCOR2 Q9Y618 3/20 0.52
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49

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
SCHEMBL20961446 0.92 HDAC6 (0.76) HDAC6HDAC1HDAC10HDAC3HDAC2
SCHEMBL12951842 0.86 HDAC6 (1.00) HDAC6HDAC1HDAC10HDAC3HDAC2
SCHEMBL6341009 0.82 HDAC6 (0.71) HDAC6HDAC1HDAC10HDAC8CA1
SCHEMBL6342434 0.82 HDAC1 (0.70) HDAC6HDAC1CA1CA2
SCHEMBL6422248 0.81 HDAC1 (0.69) HDAC6HDAC1CA1CA2
SCHEMBL12951838 0.81 HDAC6 (0.72) HDAC6HDAC1HDAC10HDAC3HDAC2
SCHEMBL1003485 0.81 HDAC6 (0.77) HDAC6HDAC1HDAC10HDAC3HDAC2
Hydrochloric Acid SCHEMBL6339587 0.81 HDAC1 (0.69) HDAC6HDAC1CA1CA2
Hydrochloric Acid SCHEMBL9615118 0.80 HDAC1 (0.67) HDAC6HDAC1CA1CA2
SCHEMBL6420858 0.80 HDAC1 (0.58) HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964970-B2 Antibacterial compounds AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-15 US disclosed
EP-1180030-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2004-11-24 EP disclosed
US-20030232850-A1 Antibacterial compounds DEBIOPHARM INTERNATIONAL SA (CH) 2003-12-18 US disclosed
US-6573272-B1 Antibacterial compounds AFFINIUM PHARMACEUTICALS, INC. (CA) 2003-06-03 US disclosed
EP-1180030-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
EP-1180030-A1 ANTIBACTERIAL COMPOUNDS SmithKline Beecham Corporation (US) 2002-02-20 EP disclosed
WO-2000072846-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-07 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 (1 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-20030232850-A1 Antibacterial compounds RER1, FAR1, REL HDAC6 317/4885HDAC1 61/4885HDAC10 421/4885

“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.