SCHEMBL3100862

SCHEMBL3100862

O=C(O)C(Cc1csc(Nc2ccccc2)n1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
GAA P10253 5/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CSNK2A1 P68400 2/20 0.50
PLK3 Q9H4B4 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MMP2 P08253 1/20 0.47
MMP10 P09238 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MMP14 P50281 1/20 0.47

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
SCHEMBL3092475 0.83 MAPT (0.45) MAPTKMT2AMEN1GAARAB9A
SCHEMBL5488921 0.82 RAB9A (0.57) MAPTKMT2AMEN1GAARAB9A
SCHEMBL10464778 0.80 GAA (0.57) MAPTKMT2AMEN1GAARAB9A
SCHEMBL3091329 0.77 MAPT (0.46) MAPTKMT2AMEN1GAARAB9A
SCHEMBL3103783 0.76 GAA (0.57) MAPTKMT2AMEN1GAARAB9A
SCHEMBL13503715 0.76 RAB9A (0.62) MAPTKMT2AMEN1GAARAB9A
SCHEMBL11588445 0.75 GAA (0.55) MAPTKMT2AMEN1GAARAB9A
SCHEMBL4368139 0.74 MAPT (0.68) MAPTKMT2AMEN1GAARAB9A
SCHEMBL14210012 0.74 KDM4E (0.58) MAPTGAARAB9AALDH1A1NPC1
SCHEMBL9385942 0.74 CSNK2A1 (0.58) MAPTKMT2AMEN1GAARAB9A

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 MAPT 2813/4885KMT2A 1948/4885MEN1 2509/4885

“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.