SCHEMBL3097200

SCHEMBL3097200

CCOC(=O)C(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)N(CC)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
ALDH1A1 P00352 10/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.51
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.48
ENPP2 Q13822 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL3086084 0.92 KMT2A (0.56) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3085786 0.80 MEN1 (0.44) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3085785 0.80 MEN1 (0.44) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3097166 0.78 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3092444 0.77 KMT2A (0.67) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3089339 0.74 MEN1 (0.52) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3097501 0.74 PARP1 (0.51) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13114819 0.72 MAPT (0.62) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL1387486 0.71 MAPT (0.74) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3097362 0.70 MAPT (0.70) MAPTALDH1A1SMN1; SMN2LMNAHTT

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 MAPT 2813/4885ALDH1A1 617/4885SMN1; SMN2 2844/4885

“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.