SCHEMBL3330443

SCHEMBL3330443

O=C1N(Cc2cnc(Cl)s2)c2ccccc2C12Cc1c(ccc3c1OCO3)O2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.46
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3330442 0.74 SCN9A (0.35) SCN9AALDH1A1KMT2AMAPTHSD17B10
SCHEMBL281938 0.73 SCN9A (0.60) SCN9A
SCHEMBL3335377 0.69 SCN9A (0.40) SCN9AALDH1A1MEN1KMT2ALMNA
SCHEMBL3330437 0.67 SCN9A (0.38) SCN9AALDH1A1MEN1KMT2AUSP2
SCHEMBL4155878 0.66 LMNA (0.38) SCN9AALDH1A1KMT2AMAPTLMNA
SCHEMBL3330328 0.65 SCN9A (0.43) SCN9AALDH1A1MAPTLMNA
SCHEMBL3330821 0.65 SCN9A (0.49) SCN9AALDH1A1
SCHEMBL484184 0.65 SCN9A (0.42) SCN9AALDH1A1
SCHEMBL2305027 0.64 SCN9A (0.60) SCN9A
SCHEMBL4732564 0.63 SCN9A (1.00) 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 61/4885ALDH1A1 1020/4885MEN1 2591/4885

“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.