SCHEMBL3097501

SCHEMBL3097501

CCOC(=O)C(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(=O)N(CC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.51
PARP2 Q9UGN5 3/20 0.51
PANK3 Q9H999 9/20 0.49
TIPARP Q7Z3E1 3/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM4 P08173 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
SCHEMBL3097334 0.92 PARP1 (0.54) PARP1PARP2PANK3TIPARPCHRM4
SCHEMBL3083860 0.81 PARP1 (0.46) PARP1PARP2PANK3TIPARPCHRM4
SCHEMBL3083858 0.81 PARP1 (0.46) PARP1PARP2PANK3TIPARPCHRM4
SCHEMBL3097200 0.74 MAPT (0.56) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL15014105 0.73 PANK3 (0.67) PARP1PARP2PANK3
SCHEMBL26291368 0.73 PANK3 (0.61) PARP1PARP2PANK3TIPARPALDH1A1
SCHEMBL30546497 0.73 PANK3 (0.67) PARP1PARP2PANK3TIPARP
SCHEMBL26126600 0.73 PANK3 (0.67) PARP1PARP2PANK3TIPARP
SCHEMBL3096063 0.73 PANK3 (0.58) PARP1PARP2PANK3TIPARPSMN1; SMN2
SCHEMBL26291426 0.72 PANK3 (0.60) PARP1PARP2PANK3TIPARP

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 PARP1 4745/4885PARP2 4651/4885PANK3 2284/4885

“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.