SCHEMBL5223590

SCHEMBL5223590

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cnccn5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
EGLN1 Q9GZT9 1/20 0.36
DYRK1A Q13627 3/20 0.36
GSK3B P49841 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HPGD P15428 1/20 0.35
NR1I2 O75469 1/20 0.35
GRIN2B Q13224 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
NAMPT P43490 1/20 0.33
MTOR P42345 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 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
SCHEMBL5196859 0.91 MAPT (0.39) SCN9AEGLN1DYRK1AGSK3BKCNH2
SCHEMBL5197163 0.91 SCN9A (0.37) SCN9AEGLN1HPGDNR1I2GRIN2B
SCHEMBL5197236 0.91 TMEM97 (0.39) SCN9ACYP3A4CYP2C19NR1I2GRIN2B
SCHEMBL5219759 0.90 TMEM97 (0.37) SCN9AEGLN1CYP3A4CYP2C19HPGD
SCHEMBL5197401 0.89 ALDH1A1 (0.39) SCN9AEGLN1CYP3A4CYP2C19HPGD
SCHEMBL5196555 0.89 SCN9A (0.38) SCN9AEGLN1HPGDNR1I2GRIN2B
SCHEMBL5197917 0.88 EGLN1 (0.37) SCN9AEGLN1DYRK1AGSK3BHPGD
SCHEMBL5197342 0.88 HPGD (0.41) SCN9AEGLN1HPGDNR1I2GRIN2B
SCHEMBL5197220 0.88 HRH1 (0.41) SCN9AEGLN1HPGDGRIN2BPRKCA
SCHEMBL5196512 0.87 HPGD (0.36) SCN9AEGLN1KCNH2HRH3HPGD

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
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
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 SCN9A 4015/4885EGLN1 1090/4885DYRK1A 4841/4885

“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.