SCHEMBL5197220

SCHEMBL5197220

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccc(F)cc5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.41
GRIN2B Q13224 5/20 0.40
CYP11B2 P19099 1/20 0.36
MAPK14 Q16539 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SCN9A Q15858 1/20 0.36
PDE5A O76074 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
GRM2 Q14416 1/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 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) HRH1GRIN2BEGLN1SCN9AALDH1A1
SCHEMBL5196805 0.93 GRIN2B (0.40) HRH1GRIN2BEGLN1SCN9ARAB9A
SCHEMBL5217338 0.93 GRIN2B (0.39) HRH1GRIN2BEGLN1SCN9APDE5A
SCHEMBL5219759 0.93 TMEM97 (0.37) HRH1EGLN1SCN9AALDH1A1HPGD
SCHEMBL5197342 0.93 HPGD (0.41) GRIN2BEGLN1SCN9AALDH1A1HPGD
SCHEMBL5197055 0.92 P2RY14 (0.39) GRIN2BEGLN1SCN9AHPGDPRKCA
SCHEMBL5198279 0.91 L3MBTL1 (0.44) GRIN2BMEN1ALDH1A1RAB9AKMT2A
SCHEMBL5227324 0.91 HRH1 (0.37) HRH1GRIN2BEGLN1SCN9AALDH1A1
SCHEMBL5196861 0.90 GRIN2B (0.39) HRH1GRIN2BEGLN1SCN9AMEN1
SCHEMBL5197025 0.90 BRD4 (0.36) GRIN2BEGLN1SCN9AALDH1A1PRKCA

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 HRH1 3066/4885GRIN2B 1821/4885CYP11B2 59/4885

“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.