SCHEMBL7210375

SCHEMBL7210375

C=C(C(=O)Oc1ccc(OC)cc1[N+](=O)[O-])C(=O)Oc1ccc(OC)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 4/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
LMNA P02545 1/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL7210382 0.93 MAPT (0.49) MAPTTHRBALDH1A1MAPK1AKR1C3
SCHEMBL7210379 0.93 MAPT (0.49) MAPTTHRBALDH1A1MAPK1AKR1C3
SCHEMBL12993689 0.85 MAPT (0.54) MAPTTHRBALDH1A1MAPK1AKR1C3
SCHEMBL13041058 0.84 MAPT (0.53) MAPTTHRBALDH1A1MAPK1AKR1C3
SCHEMBL9035406 0.83 ALDH1A1 (0.54) MAPTTHRBALDH1A1MAPK1AKR1C3
SCHEMBL7682008 0.82 MAPT (0.55) MAPTTHRBALDH1A1MAPK1AKR1C3
SCHEMBL12704884 0.81 MAPT (0.51) MAPTTHRBALDH1A1MAPK1AKR1C3
SCHEMBL29650091 0.81 ALDH1A1 (0.61) MAPTTHRBALDH1A1MAPK1AKR1C3
SCHEMBL4063903 0.81 ALDH1A1 (0.61) MAPTTHRBALDH1A1MAPK1AKR1C3
SCHEMBL8583137 0.81 MAPT (0.51) MAPTTHRBALDH1A1MAPK1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 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 (1 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP MAPT 22/4885THRB 2884/4885ALDH1A1 4024/4885

“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.