SCHEMBL2307213

SCHEMBL2307213

O=C1C(c2cc3c(cc2O)OCCO3)c2cc(Br)ccc2N1Cc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
RIPK1 Q13546 3/20 0.39
LMNA P02545 2/20 0.39
SIRT1 Q96EB6 1/20 0.37
ALDH1A1 P00352 6/20 0.37
AGTR1 P30556 1/20 0.37
SCN9A Q15858 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP2 O95551 1/20 0.34
CFTR P13569 1/20 0.34
CASP6 P55212 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
GOPC Q9HD26 1/20 0.34
XIAP P98170 1/20 0.34

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
SCHEMBL281756 0.76 SIRT1 (0.38) BRD4RIPK1LMNASIRT1ALDH1A1
SCHEMBL3330932 0.75 SCN9A (0.47) ALDH1A1SCN9AMEN1KMT2AMAPT
SCHEMBL2307293 0.74 P4HB (0.36) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL2307843 0.69 SCN9A (0.65) ALDH1A1SCN9A
SCHEMBL18497028 0.68 BRD4 (0.62) BRD4RIPK1ALDH1A1AGTR1SCN9A
SCHEMBL3326448 0.66 ALDH1A1 (0.65) ALDH1A1AGTR1MEN1KMT2APKM
SCHEMBL14552669 0.66 SCN1A (0.48) RIPK1SIRT1ALDH1A1AGTR1SCN9A
SCHEMBL3329109 0.65 SCN9A (0.41) LMNASCN9AMEN1KMT2AGNRHR
SCHEMBL12470372 0.65 GSK3B (0.54) LMNAALDH1A1SCN9AKMT2APKM
SCHEMBL2994860 0.64 SCN9A (0.52) SIRT1ALDH1A1SCN9AKMT2AHPGD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-04-27 US disclosed
US-9458178-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-10-04 US disclosed
EP-2942350-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2015-11-11 EP disclosed
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2015-10-15 US disclosed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP disclosed
US-8916580-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2014-12-23 US disclosed
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2013-09-26 US disclosed
US-8415370-B2 Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2013-04-09 US disclosed
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2012-11-22 US disclosed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US disclosed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP disclosed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US disclosed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO 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 (5 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-20170114075-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 BRD4 2360/4885RIPK1 3210/4885LMNA 1296/4885
US-20130252962-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 BRD4 2360/4885RIPK1 3210/4885LMNA 1296/4885
US-20150291623-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 BRD4 2360/4885RIPK1 3210/4885LMNA 1296/4885
US-20120295897-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS TRPV3, TRPC3, TRPV1 BRD4 2459/4885RIPK1 3281/4885LMNA 1332/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 BRD4 2360/4885RIPK1 3210/4885LMNA 1296/4885

“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.