SCHEMBL1311643

SCHEMBL1311643

Nc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
CA1 P00915 2/20 0.55
POLB P06746 3/20 0.54
GHSR Q92847 2/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KEAP1 Q14145 1/20 0.51
CXCR1 P25024 1/20 0.51
CXCR2 P25025 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
LMNA P02545 1/20 0.50
CA2 P00918 2/20 0.49
EPHX2 P34913 1/20 0.49
GAA P10253 2/20 0.49
IDH1 O75874 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL1311622 0.89 CXCR1 (0.62) CA12CA9CA1POLBKMT2A
SCHEMBL1311670 0.83 LMNA (0.59) CA12CA9CA1POLBKMT2A
SCHEMBL12112980 0.83 KMT2A (0.62) CA12CA9CA1POLBKMT2A
SCHEMBL12113101 0.80 GHSR (0.53) CA12CA9CA1GHSRKMT2A
SCHEMBL4388940 0.78 CXCR2 (0.78) CA12CA9CA1POLBKMT2A
SCHEMBL1311644 0.76 CA12 (0.54) CA12CA9CA1POLBCXCR1
SCHEMBL11332310 0.76 KMT2A (0.73) CA12CA9CA1POLBKMT2A
SCHEMBL5852169 0.76 LMNA (0.68) CA12CA9CA1POLBKMT2A
SCHEMBL12010876 0.75 MEN1 (0.72) CA12CA9CA1GHSRKMT2A
SCHEMBL1314971 0.75 MAPT (0.57) POLBKMT2AMEN1ALDH1A1MAPT

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-20110275635-A1 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT THE UAB RESEARCH FOUNDATION (US) 2011-11-10 US disclosed
WO-2010123591-A2 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT THE UAB RESEARCH FOUNDATION (US) 2010-10-28 WO 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-20110275635-A1 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT NAMPT, NAPRT, NNT CA12 4486/4885CA9 3562/4885CA1 4748/4885

“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.