SCHEMBL13183148

SCHEMBL13183148

CCCCOC(=O)N[C@@H](CCCCCC(=O)O)C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.67
▸ HDAC4 P56524 5/20 0.64
▸ MEF2D Q14814 2/20 0.64
▸ HDAC3 O15379 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ ALOX5 P09917 2/20 0.46
▸ PTGES O14684 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ SIRT2 Q8IXJ6 3/20 0.45
▸ SIRT1 Q96EB6 3/20 0.45
▸ SIRT3 Q9NTG7 1/20 0.45

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
SCHEMBL13183100 0.92 HDAC1 (0.78) HDAC1HDAC4MEF2DHDAC3HDAC7
SCHEMBL13183142 0.89 HDAC1 (0.60) HDAC1HDAC4MEF2DHDAC3HDAC7
SCHEMBL13159719 0.87 HDAC1 (0.87) HDAC1HDAC4MEF2DHDAC3HDAC7
SCHEMBL3427205 0.82 HDAC1 (0.84) HDAC1HDAC4MEF2DHDAC3HDAC7
SCHEMBL8344769 0.80 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC3HDAC7
SCHEMBL13159659 0.80 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC3HDAC7
SCHEMBL3429344 0.79 HDAC1 (0.78) HDAC1HDAC4MEF2DHDAC3HDAC7
SCHEMBL21232162 0.78 HDAC4 (1.00) HDAC1HDAC4MEF2D
SCHEMBL13159716 0.75 HDAC1 (0.74) HDAC1HDAC4MEF2DHDAC3HDAC7
SCHEMBL13928108 0.74 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC3HDAC7

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 3 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-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

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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