SCHEMBL6713407

SCHEMBL6713407

O=C(NCCCc1ccc(CC(CCCc2ccccc2)(C(=O)O)C(=O)O)cc1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MLYCD O95822 2/20 0.48
EPHX2 P34913 1/20 0.48
PTAFR P25105 1/20 0.47
HPGDS O60760 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F10 P00742 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
KDM4B O94953 1/20 0.44
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
DRD3 P35462 2/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL6717890 0.89 NPC1 (0.47) NPC1RAB9AMLYCDEPHX2PTAFR
SCHEMBL6716008 0.85 NPC1 (0.52) NPC1RAB9AMLYCDEPHX2PTAFR
SCHEMBL6718174 0.82 NPC1 (0.57) NPC1RAB9AMLYCDEPHX2PTAFR
SCHEMBL6714939 0.82 NPC1 (0.57) NPC1RAB9AMLYCDEPHX2PTAFR
SCHEMBL6717889 0.77 NPC1 (0.48) NPC1RAB9AHPGDSSMN1; SMN2POLB
SCHEMBL6715138 0.75 NPC1 (0.48) NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4906850 0.74 HPGDS (0.59) HPGDSPOLBHTR1ADRD2HTR2A
SCHEMBL14082177 0.74 HPGDS (0.59) HPGDSSMN1; SMN2HTR1ADRD2HTR2A
SCHEMBL14082179 0.73 HPGDS (0.73) NPC1RAB9AEPHX2HPGDSPOLB
SCHEMBL3225126 0.73 NPC1 (1.00) NPC1RAB9AMLYCDEPHX2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 NPC1 812/4885RAB9A 3140/4885MLYCD 2853/4885

“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.