SCHEMBL13159744

SCHEMBL13159744

O=C(CCCCCC(C(=O)NCCc1ccccc1)C(=O)NCCc1ccccc1)NO

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.72
▸ HDAC2 Q92769 9/20 0.72
▸ HDAC8 Q9BY41 7/20 0.72
▸ HDAC3 O15379 6/20 0.72
▸ HDAC6 Q9UBN7 6/20 0.72
▸ HDAC10 Q969S8 4/20 0.72
▸ HDAC11 Q96DB2 4/20 0.72
▸ NCOR2 Q9Y618 4/20 0.72
▸ HDAC4 P56524 2/20 0.66
▸ HDAC9 Q9UKV0 2/20 0.66
▸ ALOX5 P09917 1/20 0.62
▸ MMP8 P22894 2/20 0.60
▸ HDAC5 Q9UQL6 2/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.56

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
SCHEMBL13159743 0.86 MMP8 (0.62) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL12672446 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL30199594 0.81 HDAC3 (0.67) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL15598132 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL13288496 0.78 HDAC2 (0.59) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL3844327 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL22190384 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL5807174 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL8610138 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC3HDAC6
SCHEMBL8200430 0.78 HDAC2 (0.77) HDAC1HDAC2HDAC8HDAC3HDAC6

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-7799803-B2 Hydroxamic acid compounds and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-09-21 — — US disclosed
US-7799803-B2 Hydroxamic acid compounds and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-09-21 — — US disclosed
US-20070155785-A1 Hydroxamic acid compounds and methods of use thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-07-05 — — US disclosed
US-20070155785-A1 Hydroxamic acid compounds and methods of use thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-07-05 — — US disclosed
US-7199134-B2 Hydroxamic acid compounds and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2007-04-03 — — US disclosed
US-7199134-B2 Hydroxamic acid compounds and methods of use thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2007-04-03 — — 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 (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-20070155785-A1 Hydroxamic acid compounds and methods of use thereof HDAC5, BRDT, HDAC1 HDAC1 3/4885HDAC2 10/4885HDAC8 22/4885

“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.

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