SCHEMBL6712804

SCHEMBL6712804

CC(=O)Nc1ccc(OCCC(CNC(=O)O)c2ccccc2OC(=O)N(C)C)cc1.CN(C)C(=O)Oc1ccccc1C(CCOc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.32
NPR3 P17342 1/20 0.32

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
SCHEMBL4169717 0.90 MAPT (0.36) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL3870426 0.86 NPSR1 (0.48) NPSR1DRD2KMT2AMEN1TDP1
SCHEMBL3863979 0.85 ACHE (0.37) TDP1
SCHEMBL3864608 0.79 SMN1; SMN2 (0.47) NPSR1KMT2AMEN1TDP1LMNA
SCHEMBL6712801 0.79 NPSR1 (0.47) NPSR1KMT2AMEN1TDP1LMNA
SCHEMBL3863051 0.78 MAOA (0.38) TDP1CYP1A2LTA4HSMN1; SMN2L3MBTL1
SCHEMBL3874788 0.76 F2 (0.36) SMN1; SMN2TP53
SCHEMBL3867127 0.74 ACHE (0.53) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4169714 0.72 NPSR1 (0.38) NPSR1KMT2AMEN1TDP1ALDH1A1
SCHEMBL3863973 0.71 ACHE (0.45) TDP1RAB9A

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-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 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-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 NPSR1 864/4885DRD2 49/4885KMT2A 1769/4885

“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.