SCHEMBL3096719

SCHEMBL3096719

CCN(C(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.34
SCD5 Q86SK9 4/20 0.34
HDAC2 Q92769 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRHDE Q9UKU6 1/20 0.32
MAPK14 Q16539 1/20 0.32
F2 P00734 1/20 0.32
ACACB O00763 1/20 0.31
CDC25B P30305 1/20 0.31
DUSP3 P51452 1/20 0.31

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
SCHEMBL3096711 1.00 SCD (0.34) SCDSCD5HDAC2HDAC1HDAC3
SCHEMBL3092559 0.92 HDAC2 (0.35) SCDSCD5HDAC2HDAC1HDAC3
SCHEMBL3092554 0.92 HDAC2 (0.35) SCDSCD5HDAC2HDAC1HDAC3
SCHEMBL3093130 0.90 ALDH1A1 (0.34) SCDSCD5HDAC2HDAC1HDAC3
SCHEMBL3093137 0.90 ALDH1A1 (0.34) SCDSCD5HDAC2HDAC1HDAC3
SCHEMBL3093150 0.90 ACACB (0.33) SCDSCD5HDAC2HDAC1HDAC3
SCHEMBL3093156 0.90 ACACB (0.33) SCDSCD5HDAC2HDAC1HDAC3
SCHEMBL3088725 0.90 KMT2A (0.37) SCDSCD5HDAC2HDAC3HDAC8
SCHEMBL3078960 0.90 LMNA (0.39) SCDSCD5HDAC2ALDH1A1F2
SCHEMBL3088724 0.90 KMT2A (0.37) SCDSCD5HDAC2HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
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
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP 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 SCD 504/4885SCD5 1181/4885HDAC2 1497/4885

“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.