SCHEMBL996096

SCHEMBL996096

O=C(Nc1ccc[n+]([O-])c1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.64
▸ ALDH1A1 P00352 5/20 0.56
▸ CXCR4 P61073 1/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ SLC2A1 P11166 1/20 0.53
▸ MAPT P10636 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GPR55 Q9Y2T6 3/20 0.51
▸ GAA P10253 1/20 0.50
▸ RECQL P46063 1/20 0.50

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
SCHEMBL12079109 0.79 NAMPT (0.77) NAMPTALDH1A1CXCR4KMT2AMEN1
SCHEMBL1078768 0.78 NAMPT (1.00) NAMPTKMT2AMEN1SLC2A1
SCHEMBL7970997 0.76 CXCR4 (0.69) NAMPTALDH1A1CXCR4KMT2AMEN1
SCHEMBL1079531 0.75 NAMPT (0.67) NAMPTALDH1A1CXCR4SLC2A1MAPT
SCHEMBL12078587 0.75 NAMPT (0.88) NAMPTALDH1A1KMT2AMEN1SLC2A1
SCHEMBL12077395 0.75 NAMPT (0.88) NAMPTALDH1A1KMT2AMEN1SLC2A1
SCHEMBL996398 0.74 KEAP1 (0.71) NAMPTALDH1A1CXCR4KMT2AMAPT
SCHEMBL12793433 0.74 NAMPT (0.72) NAMPTALDH1A1KMT2AMEN1MAPT
SCHEMBL19358860 0.73 CXCR4 (0.82) NAMPTALDH1A1CXCR4MAPTLMNA
SCHEMBL30254760 0.73 CXCR4 (0.78) ALDH1A1CXCR4MAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 — — US claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 — — EP claimed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 — — US claimed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 — — US claimed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 — — EP claimed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 — — WO claimed
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 — — US disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 — — EP disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 — — EP disclosed
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 — — US disclosed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 — — US disclosed
EP-2681195-A1 NOVEL KINASE INHIBITORS Novartis AG (CH) 2014-01-08 — — EP disclosed
WO-2012120428-A1 NOVEL KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 — — WO disclosed
US-20120225062-A1 NOVEL KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 — — US disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 — — US disclosed
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 — — US disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 — — EP disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 — — 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 (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-20120225062-A1 NOVEL KINASE INHIBITORS PIM1, PIM2, PIM3 NAMPT 2601/4885ALDH1A1 1758/4885CXCR4 1822/4885
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS NAMPT 624/4885ALDH1A1 1336/4885CXCR4 3954/4885
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 NAMPT 2105/4885ALDH1A1 2104/4885CXCR4 2069/4885
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 NAMPT 2105/4885ALDH1A1 2104/4885CXCR4 2069/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 NAMPT 601/4885ALDH1A1 2161/4885CXCR4 2293/4885

“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.

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