SCHEMBL16220185

SCHEMBL16220185

O=[N+]([O-])c1ccc(S(=O)(=O)c2ccccc2Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
CA2 P00918 6/20 0.52
CA1 P00915 5/20 0.52
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 3/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
CA3 P07451 2/20 0.52
CA5A P35218 2/20 0.52
CA7 P43166 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
AGTR1 P30556 1/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HSD11B1 P28845 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL11842004 0.87 KMT2A (0.61) KMT2ACA2CA1CA12CA9
SCHEMBL11226703 0.81 KMT2A (0.80) KMT2ACA2CA1CA12CA9
SCHEMBL2472588 0.80 CA2 (0.54) KMT2ACA2CA1CA12CA9
SCHEMBL11219216 0.79 HTR6 (0.65) KMT2ACA2CA1CA12CA9
SCHEMBL20379453 0.79 KMT2A (0.57) KMT2ACA2CA1CA12CA9
SCHEMBL3833910 0.79 CA1 (0.58) KMT2ACA2CA1CA12CA9
SCHEMBL11859071 0.79 KMT2A (0.51) KMT2ACA2CA1CA12CA9
SCHEMBL3895943 0.77 AGTR1 (0.64) KMT2ACA2CA1CA12CA9
SCHEMBL11655146 0.77 AGTR1 (0.64) KMT2ACA2CA1CA12CA9
SCHEMBL13241573 0.77 HTR6 (0.64) KMT2ACA2CA1CA12CA9

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 11 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
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
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 US disclosed
US-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-27 US disclosed
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2021-06-03 US disclosed
EP-3568390-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-11-20 EP disclosed
WO-2018132372-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2018-07-19 WO disclosed
EP-2771324-B1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO UNIV EMORY (US) 2017-02-01 EP disclosed
US-9499489-B2 Myxovirus therapeutics, compounds, and uses related thereto EMORY UNIVERSITY (US) 2016-11-22 US disclosed
US-20140329817-A1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO CHILDREN'S HEATLHCARE OF ATLANTA, INC. (US) 2014-11-06 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 (5 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-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT KMT2A 828/4885CA2 3921/4885CA1 4776/4885
US-20210161873-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT KMT2A 828/4885CA2 3921/4885CA1 4776/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT KMT2A 828/4885CA2 3921/4885CA1 4776/4885
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT KMT2A 828/4885CA2 3921/4885CA1 4776/4885
US-20140329817-A1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO RPP30, RNASE1, MAVS KMT2A 3295/4885CA2 3096/4885CA1 3086/4885

“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.