SCHEMBL3084893

SCHEMBL3084893

N#Cc1ccc(CC(C(=O)NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
F2 P00734 3/20 0.44
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TGM2 P21980 1/20 0.41
MGLL Q99685 1/20 0.41
BCL2 P10415 1/20 0.41
NPC1 O15118 1/20 0.41
TNF P01375 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
P2RX7 Q99572 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3093631 0.88 P2RX7 (0.46) F2P2RX7
SCHEMBL3095973 0.84 F2 (0.48) F2MGLL
SCHEMBL3090741 0.84 MMP8 (0.50) F2MEN1KMT2AMGLLALDH1A1
SCHEMBL3103576 0.83 PANK3 (0.49) F2
SCHEMBL3097726 0.79 HTR7 (0.46) F2MEN1KMT2AALDH1A1MAPT
SCHEMBL8625936 0.79 F2 (0.59) F2
SCHEMBL3089218 0.78 KAT6A (0.51) F2MEN1KMT2ANPC1RAB9A
SCHEMBL3089900 0.78 LARS1 (0.50) F2MEN1KMT2ABCL2ALDH1A1
SCHEMBL3100781 0.76 F2 (0.43) F2MGLLBCL2P2RX7
SCHEMBL3090058 0.75 LARS1 (0.48) F2MEN1KMT2AMGLLBCL2

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 NPBWR1 2146/4885MCHR1 1245/4885F2 4128/4885

“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.