SCHEMBL3103975

SCHEMBL3103975

CCN(CC)C(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)NS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.36
HDAC1 Q13547 1/20 0.35
HTT P42858 1/20 0.35
SCD O00767 4/20 0.35
SCD5 Q86SK9 4/20 0.35
ACACB O00763 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ITK Q08881 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.33
PARG Q86W56 1/20 0.33

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
SCHEMBL3103969 1.00 HDAC2 (0.36) HDAC2HDAC1HTTSCDSCD5
SCHEMBL3084944 0.95 CNR1 (0.35) HDAC2HTTACACBALDH1A1POLB
SCHEMBL3084946 0.95 CNR1 (0.35) HDAC2HTTACACBALDH1A1POLB
SCHEMBL3090462 0.94 LMNA (0.42) HDAC2HDAC1HTTSCDSCD5
SCHEMBL3090464 0.94 LMNA (0.42) HDAC2HDAC1HTTSCDSCD5
SCHEMBL3084419 0.92 GAA (0.34) HDAC2HDAC1HTTACACBHDAC8
SCHEMBL3084416 0.92 GAA (0.34) HDAC2HDAC1HTTACACBHDAC8
SCHEMBL3092554 0.91 HDAC2 (0.35) HDAC2HDAC1HTTSCDSCD5
SCHEMBL3092559 0.91 HDAC2 (0.35) HDAC2HDAC1HTTSCDSCD5
SCHEMBL3100408 0.89 HTT (0.40) HDAC2HDAC1HTTSCDSCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 HDAC2 1497/4885HDAC1 1764/4885HTT 2793/4885

“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.