SCHEMBL4077302

SCHEMBL4077302

C[C@](N)(CC(=O)O)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HTT P42858 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 1/20 0.47
HIF1A Q16665 1/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
PLG P00747 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL9898944 1.00 ALDH1A1 (0.47) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL9898940 1.00 ALDH1A1 (0.47) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL12350182 0.89 ALDH1A1 (0.47) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL12350206 0.86 ALDH1A1 (0.43) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL287615 0.86 ALDH1A1 (0.47) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL12350209 0.86 ALDH1A1 (0.44) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL287614 0.86 ALDH1A1 (0.47) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL1440527 0.84 ALDH1A1 (0.48) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL1440524 0.84 ALDH1A1 (0.48) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL20894943 0.84 LMNA (0.47) ALDH1A1HTTGAAL3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US disclosed
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2014-02-27 US disclosed
US-8653067-B2 Pharmaceutical composition for treating Alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-02-18 US disclosed
US-8653067-B2 Pharmaceutical composition for treating Alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-02-18 US disclosed
US-8541408-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2013-09-24 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 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-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 ALDH1A1 2485/4885HTT 78/4885GAA 2383/4885
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 ALDH1A1 1525/4885HTT 4/4885GAA 3572/4885
US-20140058097-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 ALDH1A1 2665/4885HTT 79/4885GAA 2550/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 ALDH1A1 1383/4885HTT 6/4885GAA 3449/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 ALDH1A1 1525/4885HTT 4/4885GAA 3572/4885

“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.