SCHEMBL2338541

SCHEMBL2338541

O=[N+]([O-])c1ccc(SC2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
FUCA1 P04066 2/20 0.44
ACHE P22303 1/20 0.44
CRBN Q96SW2 1/20 0.42
EPHX1 P07099 1/20 0.42
HSP90AA1 P07900 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL10513227 0.98 MAOA (0.50) MAPTLMNAPOLBGAAMAOA
SCHEMBL26012277 0.98 MAOA (0.50) MAPTLMNAPOLBGAAMAOA
SCHEMBL31219901 0.96 FUCA1 (0.48) MAPTLMNAPOLBGAAMAOA
SCHEMBL875969 0.92 MAPT (0.48) MAPTLMNAPOLBGAAMEN1
SCHEMBL2627278 0.84 NR3C1 (0.43) MAPTLMNAPOLBGAAMEN1
SCHEMBL14790647 0.84 ADRB1 (0.46) MAPTLMNAPOLBGAAMEN1
Hydrochloric Acid SCHEMBL14782734 0.83 ADRB1 (0.45) MAPTLMNAPOLBGAAMEN1
SCHEMBL12280163 0.81 MAOA (0.47) MAPTLMNAPOLBGAAMAOA
SCHEMBL13245957 0.80 NAMPT (0.48) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL23295277 0.79 MAOA (0.65) MAPTPOLBMAOAMAOBMEN1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 US disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 EP disclosed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 EP disclosed
WO-2010058846-A1 4,6-DIAMINONICOTINAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-05-27 WO disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors BARKER MICHAEL D 2006-08-10 US disclosed
EP-1673352-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed
EP-1633748-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP disclosed
US-20050176743-A1 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2005-08-11 US disclosed
WO-2005037800-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 WO disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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 (6 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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 MAPT 1361/4885LMNA 4693/4885POLB 3254/4885
US-20050176743-A1 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents CDK2, CDK1, FLT1 MAPT 3750/4885LMNA 4699/4885POLB 157/4885
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A MAPT 4279/4885LMNA 2744/4885POLB 1079/4885
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A MAPT 4279/4885LMNA 2744/4885POLB 1079/4885
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS CDK2, CDK1, FLT1 MAPT 3750/4885LMNA 4699/4885POLB 157/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A MAPT 4279/4885LMNA 2744/4885POLB 1079/4885

“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.