SCHEMBL5221914

SCHEMBL5221914

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc(-c4ccc(Cl)s4)cc3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN2B Q13224 4/20 0.37
SCN9A Q15858 3/20 0.37
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
EGFR P00533 1/20 0.35
TYMS P04818 1/20 0.35
LTA4H P09960 1/20 0.35
VDR P11473 1/20 0.35
SRC P12931 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSK P43235 1/20 0.35
NR1I2 O75469 1/20 0.35
F10 P00742 2/20 0.35
HSD17B10 Q99714 1/20 0.34
HRH2 P25021 1/20 0.34
PDE4B Q07343 1/20 0.34
ENPP2 Q13822 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL5198049 0.91 GRIN2B (0.40) GRIN2BSCN9APRKCAMMP12NR1I2
SCHEMBL5452200 0.89 EGFR (0.43) SCN9APRKCAMMP12EGFRTYMS
SCHEMBL5197984 0.89 F10 (0.37) NPC1RAB9AGRIN2BSCN9APRKCA
SCHEMBL5198409 0.87 GRIN2B (0.43) GRIN2BSCN9APRKCAMMP12EGFR
SCHEMBL5439046 0.87 PRKCA (0.44) GRIN2BSCN9APRKCAMMP12EGFR
SCHEMBL5217612 0.86 SCN9A (0.41) GRIN2BSCN9APRKCAMMP12EGFR
SCHEMBL5198832 0.85 MAPK1 (0.42) RAB9AGRIN2BSCN9APRKCAMMP12
SCHEMBL5434937 0.84 PTGS2 (0.46) NPC1RAB9AGRIN2BSCN9APRKCA
SCHEMBL5219597 0.83 PRKCA (0.38) GRIN2BSCN9APRKCAMMP12EGFR
SCHEMBL5252018 0.83 GRIN2B (0.47) NPC1RAB9AGRIN2BSCN9APRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US 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 NPC1 153/4885RAB9A 1939/4885GRIN2B 1821/4885

“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.