SCHEMBL502458

SCHEMBL502458

O=[N+]1CC(c2cc3c(cc2O)OCO3)c2cccc(F)c21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
PKM P14618 4/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CTNNB1 P35222 2/20 0.33
WNT3A P56704 2/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
PKLR P30613 1/20 0.32
HPGD P15428 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
HTR1A P08908 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
SCHEMBL281983 0.69 ALDH1A1 (0.40) NPC1RAB9ATP53SMN1; SMN2CYP3A4
SCHEMBL2268770 0.59 CYP3A4 (0.56) NPC1RAB9APKMSMN1; SMN2CYP3A4
SCHEMBL2363085 0.59 MAPT (0.35) RAB9ATP53SMN1; SMN2CYP3A4MAOA
SCHEMBL24434308 0.58 CYP3A4 (0.56) NPC1RAB9APKMSMN1; SMN2CYP3A4
SCHEMBL772701 0.56 HSP90AA1 (0.51) NPC1RAB9APKMSMN1; SMN2CYP3A4
SCHEMBL21667414 0.56 SMN1; SMN2 (0.65) RAB9ATP53SMN1; SMN2CYP3A4HPGD
SCHEMBL3497076 0.55 MAPT (0.75) SMN1; SMN2CYP3A4HPGD
SCHEMBL2783534 0.55 MAPT (0.75) SMN1; SMN2CYP3A4HPGD
SCHEMBL14284022 0.55 CYP3A4 (0.46) PKMCYP3A4
SCHEMBL14284021 0.55 CYP3A4 (0.46) PKMSMN1; SMN2CYP3A4HPGD

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-8106087-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-01-31 US disclosed
US-20100125072-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-05-20 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-20100125072-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, OPRD1, SCN3A NPC1 1791/4885RAB9A 757/4885PKM 434/4885

“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.