SCHEMBL3330437

SCHEMBL3330437

O=C1N(Cc2cnc(Cl)s2)c2ccccc2C12C=C1C(=CCC3=C1OCO3)O2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.38
LMNA P02545 2/20 0.33
ALDH1A1 P00352 6/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
RECQL P46063 1/20 0.31
TP53 P04637 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
SCHEMBL281938 0.69 SCN9A (0.60) SCN9A
SCHEMBL3330818 0.67 SCN9A (0.47) SCN9AALDH1A1TSHRTP53
SCHEMBL3330324 0.67 SCN9A (0.36) SCN9AALDH1A1HTTKMT2AMEN1
SCHEMBL3330443 0.67 SCN9A (0.46) SCN9ALMNAALDH1A1TSHRKMT2A
SCHEMBL3330442 0.65 SCN9A (0.35) SCN9ALMNAALDH1A1KMT2AMAPT
SCHEMBL4155878 0.64 LMNA (0.38) SCN9ALMNAALDH1A1KMT2AMAPT
SCHEMBL12470309 0.60 SCN9A (0.45) SCN9AMAPT
SCHEMBL2305027 0.60 SCN9A (0.60) SCN9A
SCHEMBL7666711 0.58 MAPK1 (0.56) LMNAALDH1A1HTTTSHRKMT2A
SCHEMBL3330650 0.57 SCN9A (0.58) SCN9A

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-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed

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-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 SCN9A 61/4885LMNA 1296/4885ALDH1A1 1020/4885

“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.