SCHEMBL2576572

SCHEMBL2576572

O=C1C(c2cc3c(cc2O)OCCO3)c2ncccc2N1C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 4/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4D Q6B0I6 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
USP9X Q93008 3/20 0.32
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NOD2 Q9HC29 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 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
SCHEMBL2305458 0.85 P4HB (0.40) P4HBRAB9ANPC1MAPTMAPK1
SCHEMBL2585824 0.85 P4HB (0.36) P4HBRAB9ANPC1MAPTMAPK1
SCHEMBL3327533 0.81 P4HB (0.41) P4HBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2304503 0.80 GNRHR (0.37) P4HBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2302916 0.80 P4HB (0.36) P4HBMAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL281099 0.79 P4HB (0.47) P4HBMAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL2307293 0.79 P4HB (0.36) P4HBMAPTSMN1; SMN2TDP1KDM4E
SCHEMBL3330531 0.78 P4HB (0.36) P4HBRAB9ANPC1USP9X
SCHEMBL281799 0.76 P4HB (0.35) P4HBRAB9ANPC1
SCHEMBL281930 0.76 DRD2 (0.33) P4HBRAB9ANPC1

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-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS XENON PHARMACEUTICALS INC. (CA) 2011-11-03 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-20110269788-A1 SPIRO-OXINDOLE-DERIVATIVES AS SODIUM CHANNEL BLOCKERS SCN3A, SCN1B, SCN2B P4HB 1324/4885RAB9A 1449/4885NPC1 793/4885

“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.