SCHEMBL13159659

SCHEMBL13159659

O=C(CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ncccc2c1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 1.00
▸ HDAC4 P56524 6/20 0.65
▸ MEF2D Q14814 1/20 0.65
▸ HDAC6 Q9UBN7 5/20 0.55
▸ HDAC2 Q92769 3/20 0.54
▸ HDAC8 Q9BY41 3/20 0.54
▸ HDAC3 O15379 2/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC11 Q96DB2 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54
▸ SIRT2 Q8IXJ6 2/20 0.50
▸ SIRT1 Q96EB6 2/20 0.50
▸ SIRT3 Q9NTG7 1/20 0.50

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
SCHEMBL8344769 1.00 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC6HDAC2
SCHEMBL13159719 0.93 HDAC1 (0.87) HDAC1HDAC4MEF2DHDAC6HDAC2
SCHEMBL13159689 0.89 HDAC1 (0.80) HDAC1HDAC4MEF2DHDAC6HDAC2
SCHEMBL8083036 0.89 HDAC1 (0.79) HDAC1HDAC4MEF2DHDAC6HDAC2
SCHEMBL3429344 0.88 HDAC1 (0.78) HDAC1HDAC4MEF2DHDAC6HDAC2
SCHEMBL13183100 0.87 HDAC1 (0.78) HDAC1HDAC4MEF2DHDAC6HDAC2
SCHEMBL13159656 0.86 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC6HDAC2
SCHEMBL13928108 0.86 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC6HDAC2
SCHEMBL10420281 0.85 HDAC1 (0.73) HDAC1HDAC8
SCHEMBL4837475 0.83 HDAC1 (0.74) HDAC1HDAC4HDAC6HDAC2HDAC8

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 3/4885HDAC4 6/4885MEF2D 2258/4885

“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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