SCHEMBL3096293

SCHEMBL3096293

CCOC(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)N(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.40
PKM P14618 2/20 0.38
ACACB O00763 1/20 0.37
TP53 P04637 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
HTT P42858 1/20 0.37
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3092856 0.93 LMNA (0.43) NPY1RNPY2RMMP8ALDH1A1LMNA
SCHEMBL3097597 0.92 KMT2A (0.43) NPY1RNPY2RMMP8ALDH1A1LMNA
SCHEMBL3089260 0.91 KMT2A (0.39) NPY1RNPY2RMMP8ALDH1A1LMNA
SCHEMBL3093281 0.91 ALDH1A1 (0.41) NPY1RNPY2RMMP8ALDH1A1LMNA
SCHEMBL3097169 0.91 ALDH1A1 (0.40) ALDH1A1ACACBTP53SCDSCD5
SCHEMBL3085176 0.90 NPY1R (0.41) NPY1RNPY2RMMP8ALDH1A1LMNA
SCHEMBL3089093 0.89 ALDH1A1 (0.40) NPY1RNPY2RMMP8ALDH1A1KMT2A
SCHEMBL3084436 0.89 MMP8 (0.44) NPY1RNPY2RMMP8ALDH1A1LMNA
SCHEMBL3083807 0.88 ALDH1A1 (0.43) ALDH1A1LMNAPKMHTTL3MBTL1
SCHEMBL3091580 0.86 ALDH1A1 (0.43) NPY1RNPY2RMMP8ALDH1A1KMT2A

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 NPY1R 1344/4885NPY2R 1589/4885MMP8 3060/4885

“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.