SCHEMBL5544703

SCHEMBL5544703

O=[N+]([O-])c1c[c]ccc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.54
MAPT P10636 14/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL1030525 0.86 ALDH1A1 (0.54) CTSBMAPTLMNAMAPK1L3MBTL1
SCHEMBL27641771 0.84 GAA (0.56) CTSBMAPTLMNAMAPK1TDP1
SCHEMBL6197400 0.82 MAPT (0.50) MAPTLMNAMAPK1KDM4EL3MBTL1
SCHEMBL6197027 0.82 MAPT (0.50) MAPTLMNAMAPK1ALDH1A1SMN1; SMN2
SCHEMBL2206983 0.78 CTSB (0.68) CTSBMAPTLMNAMAPK1TDP1
SCHEMBL30779614 0.78 CTSB (0.68) CTSBMAPTLMNAMAPK1TDP1
SCHEMBL17599744 0.76 ALDH1A1 (0.52) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL6199111 0.76 LGMN (0.49) MAPTLMNAMAPK1KDM4EL3MBTL1
SCHEMBL14777390 0.75 ALDH1A1 (0.51) MAPTLMNATDP1KDM4EL3MBTL1
SCHEMBL28380204 0.75 ALDH1A1 (0.55) CTSBMAPTLMNAMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070207093-A1 Hydrazone derivatives and uses thereof LINQUAGEN CORP. 2007-09-06 US disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
WO-1994014809-A1 ANELLATED URACIL DERIVATES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-07-07 WO disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP CTSB 4588/4885MAPT 3318/4885LMNA 4884/4885
US-20070207093-A1 Hydrazone derivatives and uses thereof TAS2R1, TAS2R5, TAS1R1 CTSB 3587/4885MAPT 4421/4885LMNA 4648/4885

“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.