SCHEMBL5198409

SCHEMBL5198409

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.43
PRKCA P17252 1/20 0.43
MMP12 P39900 1/20 0.43
MAPT P10636 1/20 0.42
NR1I2 O75469 1/20 0.42
PTGS2 P35354 1/20 0.41
EGFR P00533 1/20 0.41
TYMS P04818 1/20 0.41
LTA4H P09960 1/20 0.41
VDR P11473 1/20 0.41
SRC P12931 1/20 0.41
MAPK1 P28482 1/20 0.41
CTSK P43235 1/20 0.41
SCN9A Q15858 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5439046 0.98 PRKCA (0.44) GRIN2BPRKCAMMP12MAPTNR1I2
SCHEMBL5196260 0.94 GRIN2B (0.40) GRIN2BPRKCAMMP12MAPTNR1I2
SCHEMBL5198832 0.93 MAPK1 (0.42) GRIN2BPRKCAMMP12MAPTNR1I2
SCHEMBL5219597 0.93 PRKCA (0.38) GRIN2BPRKCAMMP12MAPTNR1I2
SCHEMBL5252018 0.93 GRIN2B (0.47) GRIN2BPRKCAMMP12MAPTNR1I2
SCHEMBL5452200 0.92 EGFR (0.43) PRKCAMMP12MAPTNR1I2EGFR
SCHEMBL5217612 0.92 SCN9A (0.41) GRIN2BPRKCAMMP12NR1I2PTGS2
SCHEMBL5433936 0.91 POLB (0.42) GRIN2BNR1I2PTGS2EGFRTYMS
SCHEMBL5198351 0.91 PRKCA (0.44) GRIN2BPRKCAMMP12NR1I2PTGS2
SCHEMBL5197980 0.91 GRIN2B (0.43) GRIN2BPRKCAMMP12NR1I2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 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 (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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 GRIN2B 1821/4885PRKCA 4500/4885MMP12 4114/4885

“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.