SCHEMBL7210307

SCHEMBL7210307

COc1ccc(COC(=O)CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 7/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 4/20 0.47
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 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
BACE1 P56817 1/20 0.44

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
SCHEMBL7210312 1.00 MAPT (0.49) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL7210303 0.93 MAPT (0.52) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL5218396 0.84 MAPT (0.50) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL2436193 0.81 CYP1A2 (0.63) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4014665 0.81 CYP1A2 (0.63) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9614520 0.81 ALDH1A1 (0.50) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL2435599 0.80 PDGFRB (0.56) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL8865459 0.80 APLNR (0.51) ALDH1A1MEN1KMT2APOLB
SCHEMBL7682016 0.79 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL7682013 0.79 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AMAPK1

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 22/4885LMNA 503/4885SMN1; SMN2 12/4885

“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.