SCHEMBL5199598

SCHEMBL5199598

Cc1ccsc1-c1ccc2cc(-c3c(C4CCCCC4)c4ccc(C(=O)O)cc4n3CC(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 1/20 0.35
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
GRIN2B Q13224 2/20 0.34
PTGER4 P35408 3/20 0.33
NR1I2 O75469 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
TYMS P04818 1/20 0.32
LTA4H P09960 1/20 0.32
VDR P11473 1/20 0.32
SRC P12931 1/20 0.32
MAPK1 P28482 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
SCHEMBL29532555 0.90 KCNH2 (0.37) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5196593 0.90 KCNH2 (0.37) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5197829 0.89 BRD4 (0.36) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5197025 0.89 BRD4 (0.36) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5197342 0.89 HPGD (0.41) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5196512 0.89 HPGD (0.36) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5934895 0.88 GRIN2B (0.41) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5197903 0.88 PRKCA (0.41) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5223708 0.88 ALDH1A1 (0.37) SCN9ABRD4CREBBPPRKCAMMP12
SCHEMBL5197401 0.88 ALDH1A1 (0.39) SCN9ABRD4CREBBPPRKCAMMP12

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 SCN9A 4015/4885BRD4 233/4885CREBBP 1671/4885

“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.