SCHEMBL4897536

SCHEMBL4897536

COc1ccc2c(c1)Nc1ccccc1N(CCCCCC(=O)NO)S2(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 16/20 0.62
HDAC1 Q13547 16/20 0.62
HDAC6 Q9UBN7 13/20 0.62
HDAC8 Q9BY41 13/20 0.62
HDAC3 O15379 12/20 0.62
HDAC7 Q8WUI4 12/20 0.62
HDAC4 P56524 11/20 0.62
HDAC5 Q9UQL6 11/20 0.62
HDAC9 Q9UKV0 11/20 0.62
HDAC10 Q969S8 10/20 0.62
HDAC11 Q96DB2 10/20 0.62
TUBB4A P04350 7/20 0.62
TUBB P07437 7/20 0.62
TUBA3C P0DPH7 7/20 0.62
TUBA1B P68363 7/20 0.62
TUBA4A P68366 7/20 0.62
TUBB4B P68371 7/20 0.62
TUBB3 Q13509 7/20 0.62
TUBB2A Q13885 7/20 0.62
TUBB8 Q3ZCM7 7/20 0.62

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
SCHEMBL4886860 0.93 HDAC2 (0.60) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL4896217 0.91 HDAC2 (0.68) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL4896680 0.87 HDAC1 (0.54) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL4886855 0.86 HDAC1 (0.65) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL4900809 0.82 HDAC1 (0.51) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL4896689 0.81 HDAC1 (0.54) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL4900832 0.80 HDAC1 (0.57) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL4896987 0.79 HDAC1 (0.54) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL4898161 0.78 HDAC1 (0.54) HDAC2HDAC1HDAC6HDAC8HDAC3
SCHEMBL4899156 0.77 HDAC8 (1.00) HDAC2HDAC1HDAC6HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275023-A1 N-Hydroxyamides Omege-Substituted with Tricyclic Groups as Histone Deacetylase Inhibitors, Their Preparation and Use in Pharmaceutical Formulations MENARIN INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2008-11-06 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-20080275023-A1 N-Hydroxyamides Omege-Substituted with Tricyclic Groups as Histone Deacetylase Inhibitors, Their Preparation and Use in Pharmaceutical Formulations HDAC8, HDAC2, HDAC7 HDAC2 2/4885HDAC1 4/4885HDAC6 12/4885

“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.