SCHEMBL2585824

SCHEMBL2585824

O=C1C(c2cc3c(cc2O)OCCO3)c2cccnc2N1C(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HB P07237 4/20 0.36
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
KDM4D Q6B0I6 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
STING1 Q86WV6 4/20 0.31
LIPG Q9Y5X9 1/20 0.31
POLB P06746 1/20 0.31
RIPK1 Q13546 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL2576572 0.85 P4HB (0.36) P4HBRAB9ANPC1KDM4DMAPT
SCHEMBL2305458 0.84 P4HB (0.40) P4HBRAB9ANPC1MAPTMAPK1
SCHEMBL3327533 0.80 P4HB (0.41) P4HBRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2307433 0.80 P4HB (0.38) P4HBRAB9ANPC1KDM4DMAPT
SCHEMBL2307293 0.78 P4HB (0.36) P4HBMAPTSMN1; SMN2KDM4EHTT
SCHEMBL281099 0.78 P4HB (0.47) P4HBKDM4DMAPTSMN1; SMN2KDM4E
SCHEMBL3330531 0.77 P4HB (0.36) P4HBRAB9ANPC1
SCHEMBL2304503 0.75 GNRHR (0.37) P4HBRAB9ANPC1KDM4DMAPT
SCHEMBL2302916 0.75 P4HB (0.36) P4HBMAPTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL281799 0.74 P4HB (0.35) 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.