SCHEMBL2430742

SCHEMBL2430742

O=C1C=C2SCCCn3ccc(c32)C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.34
APAF1 O14727 1/20 0.34
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
DNMT1 P26358 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL2431770 0.72 APAF1 (0.34) APAF1TDP2NSD2HKDC1DNMT1
SCHEMBL2599344 0.52 S100A4 (1.00) S100A4APAF1TDP2DNMT1ALDH1A1
SCHEMBL7260223 0.51 APAF1 (1.00) S100A4APAF1TDP2NSD2HKDC1
SCHEMBL21584067 0.49 INMT (0.39) ALDH1A1
SCHEMBL12020975 0.48
SCHEMBL4067337 0.48
SCHEMBL1698475 0.46 INMT (0.40) ALDH1A1MAPT
SCHEMBL8600693 0.45 PTPN1 (0.75) NSD2HKDC1ALDH1A1MAPT
SCHEMBL11755346 0.45 INMT (0.39) ALDH1A1
SCHEMBL6752722 0.45

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 S100A4 3251/4885APAF1 4604/4885TDP2 2581/4885
US-20100160291-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS OPRK1, SCN3A, CACNA1A S100A4 3251/4885APAF1 4604/4885TDP2 2581/4885

“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.