SCHEMBL5196859

SCHEMBL5196859

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5cccnc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
CYP2C9 P11712 2/20 0.36
GRIN2B Q13224 1/20 0.36
HPGD P15428 1/20 0.36
SCN9A Q15858 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
SMO Q99835 1/20 0.35
NR1I2 O75469 1/20 0.35
GBA1 P04062 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL5197401 0.94 ALDH1A1 (0.39) EGLN1GRIN2BHPGDSCN9APRKCA
SCHEMBL5219759 0.92 TMEM97 (0.37) EGLN1CYP2C9HPGDSCN9ACCNC
SCHEMBL5223590 0.91 SCN9A (0.37) KCNH2HRH3EGLN1GRIN2BHPGD
SCHEMBL5310421 0.90 PRKCA (0.35) EGLN1GRIN2BSCN9APRKCAMMP12
SCHEMBL5197877 0.90 GRIN2B (0.42) MAPTGRIN2BHPGDSCN9APRKCA
SCHEMBL5196805 0.90 GRIN2B (0.40) MAPTEGLN1GRIN2BSCN9APRKCA
SCHEMBL5220936 0.90 POLB (0.37) MAPTMEN1KMT2AEGLN1GRIN2B
SCHEMBL5197342 0.90 HPGD (0.41) MAPTEGLN1GRIN2BHPGDSCN9A
SCHEMBL5197220 0.90 HRH1 (0.41) MEN1KMT2AEGLN1GRIN2BHPGD
SCHEMBL5197917 0.89 EGLN1 (0.37) EGLN1GRIN2BHPGDSCN9APRKCA

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 MAPT 2534/4885MEN1 4103/4885KMT2A 2460/4885

“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.