SCHEMBL3088141

SCHEMBL3088141

CCN(C(=O)C(Cc1nnnn1Cc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
MAPK1 P28482 1/20 0.41
DAGLA Q9Y4D2 2/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL3100495 0.91 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNAHDAC1
SCHEMBL3096693 0.83 HDAC1 (0.52) ALDH1A1MEN1KMT2ALMNAHDAC1
SCHEMBL3092357 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNAHDAC1
SCHEMBL3092346 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ALMNAHDAC1
SCHEMBL3097691 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAHDAC1
SCHEMBL27787149 0.75 GHSR (0.44) ALDH1A1MEN1KMT2ALMNAHDAC1
SCHEMBL3097169 0.74 ALDH1A1 (0.40) ALDH1A1TSHRGLA
SCHEMBL4405905 0.72 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ALMNAHDAC1
SCHEMBL27787150 0.71 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL156417 0.70 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ALMNAHDAC1

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 6 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
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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 ALDH1A1 617/4885MEN1 2509/4885KMT2A 1948/4885

“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.