SCHEMBL13834644

SCHEMBL13834644

[CH2]c1ccc(NC(N)=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTK2 Q05397 1/20 0.41
NNMT P40261 1/20 0.41
MAPK1 P28482 2/20 0.38
HCAR3 P49019 1/20 0.38
NR3C2 P08235 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTGS1 P23219 2/20 0.36
NPC1 O15118 2/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL423960 0.81 PTK2 (0.62) RAB9AMAPTL3MBTL1PTK2KMT2A
SCHEMBL9413742 0.78 ALDH1A1 (0.53) RAB9AMAPTL3MBTL1MEN1KMT2A
SCHEMBL6625494 0.77 RAB9A (0.43) RAB9AMAPTL3MBTL1PTK2NNMT
SCHEMBL5034164 0.77 RAB9A (0.72) RAB9AMAPTL3MBTL1MEN1KMT2A
SCHEMBL5031657 0.77 ALDH1A1 (0.52) RAB9AMAPK1NR3C2KMT2ANPC1
SCHEMBL5032454 0.77 L3MBTL1 (0.72) RAB9AMAPTL3MBTL1PTK2MAPK1
SCHEMBL8104147 0.77 RAB9A (0.58) RAB9AMAPTMAPK1MEN1KMT2A
SCHEMBL30753154 0.76 HCAR3 (0.65) NNMTHCAR3
SCHEMBL29153416 0.76 HCAR3 (0.65) NNMTHCAR3
SCHEMBL5036428 0.73 PTGS1 (0.66) RAB9ANR3C2KMT2AGAAPTGS1

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-8415370-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-04-09 US disclosed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 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-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 RAB9A 1619/4885MAPT 106/4885L3MBTL1 2818/4885

“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.