SCHEMBL960875

SCHEMBL960875

CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 4/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MMP8 P22894 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 1/20 0.44
AR P10275 1/20 0.43
MEN1 O00255 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
SCHEMBL2672728 0.93 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1KDM4E
SCHEMBL9001515 0.87 MAPT (0.54) MAPTCRHBPCRHR2L3MBTL1KDM4E
SCHEMBL6311420 0.87 MEN1 (0.47) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL1862886 0.86 LMNA (0.54) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL7062603 0.86 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1KDM4E
SCHEMBL9308568 0.85 MAPT (0.52) MAPTCRHBPCRHR2L3MBTL1KDM4E
SCHEMBL1068871 0.84 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1KDM4E
SCHEMBL1859542 0.84 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1KDM4E
SCHEMBL30811231 0.84 GLO1 (0.49) MAPTCRHBPCRHR2GAALMNA
SCHEMBL958643 0.84 GLO1 (0.49) MAPTCRHBPCRHR2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10842893-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2020-11-24 US disclosed
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-10-15 US disclosed
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 US disclosed
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2016-08-18 US disclosed
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 US disclosed
US-6538022-B1 Three-dimensional structure of the cytosolic domain of phospholamban (PLB) and its active site from NMR data of sufficiently high resolution for the three-dimensional structure determination. rational drug design enabling the ORION CORPORATION (FI) 2003-03-25 US disclosed
EP-1039884-B1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORP (FI) 2002-09-18 EP disclosed
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US disclosed
EP-1039884-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 2000-10-04 EP disclosed
EP-1017691-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (ORION-YHTYMA OY) (FI) 2000-07-12 EP disclosed
EP-1001774-A1 USE OF PHOSPHOLAMBAN INHIBITORS TO INCREASING CORONARY FLOW ORION CORPORATION (FI) 2000-05-24 EP disclosed
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed
WO-1999030696-A1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORPORATION (FI) 1999-06-24 WO disclosed
WO-1999015523-A1 BISETHERS OF 1-OXA, AZA AND THIANAPHTHALEN-2-ONES AS PHOSPHOLAMBAN INHIBITORS ORION CORPORATION (FI) 1999-04-01 WO disclosed
WO-1999000132-A1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORPORATION (FI) 1999-01-07 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 (3 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-10842893-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC MAPT 1680/4885CRHBP 3953/4885CRHR2 4769/4885
US-20160235870-A1 MULTIFUNCTIONAL CHELATORS, COMPLEXES, AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME FECH, SLC40A1, TFRC MAPT 1680/4885CRHBP 3953/4885CRHR2 4769/4885
US-10441669-B2 Multifunctional chelators, complexes, and compositions thereof, and methods of using same FECH, SLC40A1, TFRC MAPT 1680/4885CRHBP 3953/4885CRHR2 4769/4885

“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.