SCHEMBL3092835

SCHEMBL3092835

Cc1nc2ccccc2n1Cc1cccc(CCl)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.75
GALR3 O60755 3/20 0.65
NR2F2 P24468 3/20 0.65
RAB9A P51151 2/20 0.65
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 3/20 0.56
NPC1 O15118 1/20 0.55
MAPT P10636 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
PDE6D O43924 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ALDH2 P05091 1/20 0.52
ALDH3A1 P30838 1/20 0.52
TSHR P16473 2/20 0.51
HTT P42858 1/20 0.49

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
SCHEMBL15014103 0.87 TNF (0.72) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL231295 0.86 TNF (1.00) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL9431694 0.86 TNF (0.70) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL3100051 0.86 TNF (0.70) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL9431028 0.85 TNF (0.74) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL13181091 0.84 TNF (0.68) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL6562002 0.84 GALR3 (0.74) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL13153031 0.83 TNF (0.67) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL15567678 0.83 TNF (0.70) TNFGALR3NR2F2RAB9AMEN1
SCHEMBL8220572 0.81 TNF (0.77) TNFGALR3NR2F2RAB9AMEN1

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 TNF 2276/4885GALR3 1525/4885NR2F2 2842/4885

“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.