SCHEMBL2136451

SCHEMBL2136451

CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)C=Cc1ccc(C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.53
HDAC2 Q92769 13/20 0.50
HDAC3 O15379 9/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
TNFRSF1A P19438 2/20 0.42
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL2136441 1.00 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2606707 0.91 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL7942104 0.87 HDAC2 (0.55) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL21480731 0.87 HDAC2 (0.53) HDAC1HDAC2HDAC3
SCHEMBL2685209 0.86 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2464648 0.86 HDAC2 (0.56) HDAC1HDAC2HDAC3TP53LMNA
SCHEMBL2133086 0.85 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2133094 0.85 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2131416 0.85 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL2131411 0.85 HDAC1 (0.45) HDAC1HDAC2HDAC3HDAC8HDAC6

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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 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-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.