SCHEMBL4299002

SCHEMBL4299002

[N-]=[N+]=N[C@@H]1C[C@H](COCCCOc2ccccc2)N(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
DPP8 Q6V1X1 4/20 0.36
DPP7 Q9UHL4 4/20 0.36
DPP4 P27487 3/20 0.36
DPP9 Q86TI2 3/20 0.35
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARD Q03181 1/20 0.34
ALOX12 P18054 1/20 0.33

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
SCHEMBL13663724 0.87 PDE4B (0.39) HPGDNPC1RAB9A
SCHEMBL13662035 0.84 TMEM97 (0.34)
SCHEMBL4296662 0.82 DPP4 (0.44) DPP8DPP7DPP4MMP2ANPEP
SCHEMBL3948770 0.81 NPC1 (0.42) HPGDNPC1RAB9ADPP4CHRM3
SCHEMBL4303403 0.80 HPGD (0.41) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13663716 0.76 SRC (0.38) MMP2ANPEP
SCHEMBL19898101 0.73 MMP2 (0.36) DPP8DPP7DPP4DPP9MMP2
SCHEMBL4297705 0.72 NPC1 (0.40) HPGDNPC1RAB9ACHRM3SMN1; SMN2
SCHEMBL25246911 0.71 MMP2 (0.44) DPP8DPP7DPP4DPP9MMP2
SCHEMBL22556922 0.71 MMP2 (0.44) DPP8DPP7DPP4DPP9MMP2

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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF HPGD 3107/4885NPC1 111/4885RAB9A 323/4885

“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.