SCHEMBL5197984

SCHEMBL5197984

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccc(Cl)s5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
FBP1 P09467 1/20 0.35
SCN9A Q15858 1/20 0.34
GRIN2B Q13224 3/20 0.34
HRH1 P35367 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
SMO Q99835 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL5197829 0.93 BRD4 (0.36) EGLN1SCN9AGRIN2BPRKCAMMP12
SCHEMBL5197917 0.90 EGLN1 (0.37) EGLN1SCN9AGRIN2BHRH1PRKCA
SCHEMBL5223708 0.89 ALDH1A1 (0.37) EGLN1SCN9APRKCAMMP12BRD4
SCHEMBL5197401 0.89 ALDH1A1 (0.39) EGLN1SCN9AGRIN2BHRH1PRKCA
SCHEMBL5221914 0.89 NPC1 (0.38) F10NPC1RAB9ASCN9AGRIN2B
SCHEMBL5934895 0.88 GRIN2B (0.41) EGLN1SCN9AGRIN2BPRKCAMMP12
SCHEMBL5196756 0.88 PRKCA (0.39) EGLN1SCN9AGRIN2BHRH1PRKCA
SCHEMBL5197342 0.88 HPGD (0.41) EGLN1SCN9AGRIN2BPRKCAMMP12
SCHEMBL5219759 0.88 TMEM97 (0.37) EGLN1SCN9AHRH1PRKCAMMP12
SCHEMBL5197220 0.88 HRH1 (0.41) RAB9AEGLN1SCN9AGRIN2BHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN claimed
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
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
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 F10 3558/4885NPC1 153/4885RAB9A 1939/4885

“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.