SCHEMBL1970882

SCHEMBL1970882

O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.72
CRHR2 Q13324 1/20 0.72
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
TSHR P16473 1/20 0.65
CA2 P00918 4/20 0.62
CA12 O43570 2/20 0.62
CA9 Q16790 2/20 0.62
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NFKBIA P25963 1/20 0.56
RELA Q04206 1/20 0.56
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKM P14618 1/20 0.52
CA1 P00915 3/20 0.51

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
SCHEMBL12197799 0.86 TSHR (0.63) CRHBPCRHR2KMT2AMEN1TSHR
SCHEMBL21497034 0.85 CRHBP (0.58) CRHBPCRHR2KMT2AMEN1TSHR
SCHEMBL11872858 0.85 DDX3X (0.71) CRHBPCRHR2KMT2AMEN1TSHR
SCHEMBL8309888 0.84 CRHBP (1.00) CRHBPCRHR2KMT2AMEN1CA2
SCHEMBL10715101 0.82 CRHBP (0.60) CRHBPCRHR2KMT2AMEN1CA2
SCHEMBL7570382 0.82 TSHR (0.75) KMT2AMEN1TSHRHTTLMNA
SCHEMBL3791578 0.81 TSHR (0.74) CRHBPCRHR2KMT2AMEN1TSHR
SCHEMBL18023815 0.81 DDX3X (0.74) CRHBPCRHR2KMT2AMEN1CA2
SCHEMBL21893366 0.81 CA2 (0.62) CRHBPCRHR2KMT2AMEN1TSHR
SCHEMBL6563189 0.81 CA2 (0.62) CRHBPCRHR2KMT2AMEN1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
WO-2013063100-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
WO-2013060029-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP (US) 2013-05-02 WO disclosed
WO-2013063100-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
WO-2013060029-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP (US) 2013-05-02 WO disclosed
US-20110243844-A1 SULFONAMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK SHARP & DOHME CORP. 2011-10-06 US disclosed
EP-2334183-A1 SULFONAMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS Merck Sharp & Dohme Corp. (US) 2011-06-22 EP disclosed
WO-2010033350-A1 SULFONAMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS MERCK & CO., INC. (US) 2010-03-25 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 (2 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-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT CRHBP 1911/4885CRHR2 4778/4885KMT2A 828/4885
US-20110243844-A1 SULFONAMIDE DERIVATIVE METABOTROPIC GLUTAMATE R4 LIGANDS GRM4, GRIA4, GRM1 CRHBP 566/4885CRHR2 346/4885KMT2A 2262/4885

“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.