SCHEMBL5224331

SCHEMBL5224331

Nc1cc(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)ccc3n2)ccc1O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.35
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
ERN1 O75460 3/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 1/20 0.33
SMO Q99835 1/20 0.33
HRH1 P35367 1/20 0.32
HPGD P15428 1/20 0.32
NR1I2 O75469 1/20 0.32
MTOR P42345 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
SCHEMBL5197501 0.91 EGLN1 (0.34) EGLN1SCN9AALDH1A1HIF1APRKCA
SCHEMBL5310421 0.91 PRKCA (0.35) EGLN1SCN9AALDH1A1HIF1APRKCA
SCHEMBL5197401 0.90 ALDH1A1 (0.39) EGLN1SCN9AALDH1A1HIF1APRKCA
SCHEMBL5216604 0.90 PRKCA (0.36) EGLN1SCN9AALDH1A1HIF1APRKCA
SCHEMBL5217338 0.89 GRIN2B (0.39) EGLN1SCN9AALDH1A1HIF1APRKCA
SCHEMBL5197025 0.89 BRD4 (0.36) EGLN1SCN9AALDH1A1PRKCAMMP12
SCHEMBL5219759 0.89 TMEM97 (0.37) EGLN1SCN9AALDH1A1HIF1APRKCA
SCHEMBL5197220 0.89 HRH1 (0.41) EGLN1SCN9AALDH1A1PRKCAMMP12
SCHEMBL5197342 0.89 HPGD (0.41) EGLN1SCN9AALDH1A1PRKCAMMP12
SCHEMBL5220936 0.88 POLB (0.37) EGLN1SCN9AALDH1A1HIF1APRKCA

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 EGLN1 1090/4885SCN9A 4015/4885ALDH1A1 1627/4885

“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.