SCHEMBL3096541

SCHEMBL3096541

CCN(C(=O)C(Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
MAPT P10636 8/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
BMP1 P13497 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.33

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
SCHEMBL3096530 1.00 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3089113 0.90 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3089116 0.90 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3092141 0.88 PKM (0.38) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL3092146 0.88 PKM (0.38) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL3083948 0.87 MAPT (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3083952 0.87 MAPT (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3093966 0.86 POLB (0.38) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL3093978 0.86 POLB (0.38) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL3100776 0.83 RAF1 (0.40) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2

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 617/4885MAPT 2813/4885MEN1 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.