SCHEMBL2431770

SCHEMBL2431770

O=C1C=C2OCCCn3ccc(c32)C1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.34
TDP2 O95551 2/20 0.34
NSD2 O96028 2/20 0.34
HKDC1 Q2TB90 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NOD2 Q9HC29 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
DNMT1 P26358 1/20 0.32
TOP2A P11388 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
SCHEMBL31256887 0.55 PRKCQ (0.42)
SCHEMBL20532733 0.53 ALDH1A1 (0.35)
SCHEMBL18202252 0.52 PARP1 (0.40)
SCHEMBL14467910 0.51
SCHEMBL24434352 0.48 MAOA (0.50) APAF1TDP2MEN1NPC1RAB9A
SCHEMBL5709796 0.48 MAOA (0.50) APAF1TDP2MEN1NPC1RAB9A
SCHEMBL30413722 0.48 MAOA (0.50) APAF1TDP2MEN1NPC1RAB9A
SCHEMBL28500409 0.48 MAOA (0.50) APAF1TDP2MEN1NPC1RAB9A
SCHEMBL29462577 0.48 MAOA (0.50) APAF1TDP2MEN1NPC1RAB9A
SCHEMBL5158335 0.48 PKM (0.32)

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-20110237567-A9 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2011-09-29 US disclosed
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-24 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 (2 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-20110237567-A9 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, SCN3A, CACNA1A APAF1 4604/4885TDP2 2581/4885NSD2 2906/4885
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, SCN3A, CACNA1A APAF1 4604/4885TDP2 2581/4885NSD2 2906/4885

“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.