SCHEMBL2139153

SCHEMBL2139153

Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C(=O)NCCc2ccncc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.72
HDAC2 Q92769 8/20 0.65
HDAC3 O15379 6/20 0.65
HDAC4 P56524 3/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC10 Q969S8 3/20 0.62
HDAC11 Q96DB2 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC9 Q9UKV0 3/20 0.62
HDAC5 Q9UQL6 3/20 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
SCHEMBL2134222 0.92 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1066421 0.86 HDAC1 (0.81) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3641576 0.84 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3639000 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL4588883 0.83 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2209869 0.82 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4578962 0.82 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3776856 0.81 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4506241 0.81 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3646210 0.81 HDAC1 (1.00) HDAC1HDAC2HDAC3

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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
WO-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY HDAC2, HDAC1, HDAC3 HDAC1 2/4885HDAC2 1/4885HDAC3 3/4885

“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.