SCHEMBL3023276

SCHEMBL3023276

O=C1CSc2ncc(N3C(=O)CSc4nc[c]cc43)cc2N1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL706780 0.75 MAOB (0.37)
SCHEMBL2123339 0.65 MAOA (0.41) NPC1RAB9A
SCHEMBL19629987 0.65 MAOB (0.39) NPC1RAB9A
SCHEMBL10285185 0.65 EPHX2 (0.50) NPC1RAB9A
SCHEMBL2797763 0.63 MAOB (0.40) NPC1RAB9A
SCHEMBL23781329 0.62 HTT (0.46) NPC1RAB9A
SCHEMBL13356540 0.62 MAOB (0.45) NPC1RAB9A
SCHEMBL2925433 0.62 HTT (0.56) NPC1RAB9A
SCHEMBL13356496 0.62 MAOB (0.39) NPC1RAB9A
SCHEMBL25110146 0.62 KMT2A (0.43) NPC1RAB9A

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-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 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 (2 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH NPC1 304/4885RAB9A 1510/4885
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 NPC1 610/4885RAB9A 949/4885

“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.