SCHEMBL8311939

SCHEMBL8311939

O=C(CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc2cccnc12)NO

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.85
▸ HDAC6 Q9UBN7 5/20 0.68
▸ HTT P42858 1/20 0.57
▸ HDAC4 P56524 7/20 0.56
▸ MEF2D Q14814 3/20 0.56
▸ EP300 Q09472 1/20 0.56
▸ HDAC3 O15379 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 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
SCHEMBL13928111 1.00 HDAC1 (0.85) HDAC1HDAC6HTTHDAC4MEF2D
SCHEMBL8329131 0.92 HDAC1 (1.00) HDAC1HDAC6HDAC4MEF2DEP300
SCHEMBL14254995 0.92 HDAC1 (1.00) HDAC1HDAC6HDAC4MEF2DEP300
SCHEMBL23682998 0.85 HDAC1 (0.81) HDAC1HDAC6HDAC4MEF2DEP300
SCHEMBL13928109 0.82 HDAC1 (0.85) HDAC1HDAC6HDAC4MEF2DHDAC3
SCHEMBL8311632 0.82 HDAC1 (0.85) HDAC1HDAC6HDAC4MEF2DHDAC3
SCHEMBL13183169 0.82 HDAC1 (1.00) HDAC1HDAC6HDAC4MEF2DEP300
SCHEMBL13159671 0.82 HDAC1 (1.00) HDAC1HDAC6HDAC4MEF2DEP300
SCHEMBL13477816 0.82 HDAC1 (0.82) HDAC1HDAC6HDAC4MEF2DEP300
SCHEMBL14254994 0.82 HDAC4 (0.66) HDAC1HDAC6HDAC4MEF2DHDAC3

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-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
WO-2004089293-A2 HYDROXAMIC ACID COMPOUNDS AND METHODS OF USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2004-10-21 — — 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-20070155785-A1 Hydroxamic acid compounds and methods of use thereof HDAC5, BRDT, HDAC1 HDAC1 3/4885HDAC6 5/4885HTT 94/4885

“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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