SCHEMBL6044113

SCHEMBL6044113

COc1ccc(CCNc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.77
HCAR3 P49019 5/20 0.67
KMT2A Q03164 6/20 0.61
PKM P14618 2/20 0.61
MEN1 O00255 4/20 0.60
HPGD P15428 3/20 0.60
LMNA P02545 2/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 1/20 0.58
RECQL P46063 1/20 0.58
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57

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
SCHEMBL6044296 0.88 MAPT (0.69) MAPTHCAR3KMT2AMEN1HPGD
SCHEMBL6043895 0.88 MAPT (0.72) MAPTHCAR3KMT2APKMMEN1
SCHEMBL27298735 0.81 MAPT (0.72) MAPTHCAR3KMT2APKMMEN1
SCHEMBL6043949 0.81 HCAR3 (1.00) MAPTHCAR3KMT2APKMMEN1
SCHEMBL19278151 0.81 MAPT (0.69) MAPTHCAR3KMT2APKMMEN1
SCHEMBL2243980 0.80 KMT2A (0.62) MAPTHCAR3KMT2APKMMEN1
SCHEMBL20762068 0.80 MAPT (0.61) MAPTHCAR3KMT2APKMMEN1
SCHEMBL3400808 0.79 SMN1; SMN2 (0.70) MAPTKMT2APKMMEN1HPGD
SCHEMBL12004226 0.79 MAPT (0.56) MAPTHCAR3KMT2APKMMEN1
SCHEMBL14402 0.79 AKR1C3 (0.57) MAPTHCAR3KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 MAPT 282/4885HCAR3 123/4885KMT2A 2309/4885

“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.