SCHEMBL5223708

SCHEMBL5223708

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cccs5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.36
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
LMNA P02545 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
SCN9A Q15858 1/20 0.34
PLAUR Q03405 1/20 0.34
SMO Q99835 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL5197917 0.91 EGLN1 (0.37) ALDH1A1KDM4EHPGDPRKCAMMP12
SCHEMBL5197829 0.90 BRD4 (0.36) ALDH1A1KDM4EHPGDPOLBKCNH2
SCHEMBL5197401 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDPOLBPRKCA
SCHEMBL5934895 0.89 GRIN2B (0.41) ALDH1A1KDM4EGAAHPGDPOLB
SCHEMBL5197984 0.89 F10 (0.37) ALDH1A1HPGDPRKCAMMP12EGLN1
SCHEMBL5219759 0.89 TMEM97 (0.37) ALDH1A1HPGDPOLBPRKCAMMP12
SCHEMBL5196512 0.89 HPGD (0.36) ALDH1A1HPGDKCNH2HRH3PRKCA
SCHEMBL5198332 0.88 KCNH2 (0.36) ALDH1A1GAAHPGDKCNH2HRH3
SCHEMBL5199598 0.88 SCN9A (0.36) KDM4EGAAPRKCAMMP12EGLN1
SCHEMBL5197220 0.88 HRH1 (0.41) ALDH1A1HPGDPRKCAMMP12EGLN1

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
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
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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 (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 ALDH1A1 1627/4885KDM4E 2663/4885GAA 774/4885

“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.