SCHEMBL3100700

SCHEMBL3100700

CCN(CC)C(=O)C(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MMP9 P14780 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.42
BCL2 P10415 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 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
SCHEMBL3092605 0.92 KMT2A (0.55) ABCG2ATMLMNAMAPTKMT2A
SCHEMBL14999938 0.92 LARS1 (0.47) MAPTKMT2AMEN1MMP9POLB
SCHEMBL3085970 0.92 LARS1 (0.47) MAPTKMT2AMEN1MMP9POLB
SCHEMBL3102970 0.91 MMP9 (0.46) LMNAKMT2AMEN1RAB9ANPC1
SCHEMBL3093901 0.91 MMP9 (0.46) LMNAKMT2AMEN1RAB9ANPC1
SCHEMBL3090792 0.90 NPC1 (0.51) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3092998 0.90 NPC1 (0.51) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3093732 0.89 LARS1 (0.44) CA12CA9LMNAKMT2AMEN1
SCHEMBL3090974 0.89 MEN1 (0.50) CA12CA9MAPTKMT2AMEN1
SCHEMBL3090637 0.89 RAB9A (0.48) LMNAMAPTKMT2AMEN1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA12 750/4885CA9 152/4885ABCG2 201/4885

“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.