SCHEMBL3097166

SCHEMBL3097166

CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
MAPT P10636 4/20 0.46
CRHBP P24387 3/20 0.46
CRHR2 Q13324 3/20 0.46
MMP8 P22894 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
AR P10275 1/20 0.42
ATM Q13315 1/20 0.42
TLR9 Q9NR96 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 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
SCHEMBL3103823 0.90 ALDH1A1 (0.57) ALDH1A1MAPTCRHBPCRHR2L3MBTL1
SCHEMBL3096395 0.85 ALDH1A1 (0.43) ALDH1A1NPY1RNPY2RMAPTMMP8
SCHEMBL3093454 0.84 NPY1R (0.49) ALDH1A1NPY1RNPY2RMAPTMMP8
SCHEMBL14999956 0.83 MAPT (0.51) ALDH1A1MAPTCRHBPCRHR2MMP8
SCHEMBL2672728 0.82 MAPT (0.59) ALDH1A1MAPTCRHBPCRHR2MMP8
SCHEMBL15664802 0.80 MAPT (0.50) ALDH1A1MAPTCRHBPCRHR2MMP8
SCHEMBL3097037 0.79 ALDH1A1 (0.46) ALDH1A1MAPTCRHBPCRHR2L3MBTL1
SCHEMBL3103784 0.79 MAPT (0.46) ALDH1A1MAPTCRHBPCRHR2L3MBTL1
SCHEMBL3083807 0.78 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1TRPM8MAPK1
SCHEMBL960875 0.78 MAPT (0.55) ALDH1A1MAPTCRHBPCRHR2MMP8

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 ALDH1A1 617/4885NPY1R 1344/4885NPY2R 1589/4885

“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.