SCHEMBL5217338

SCHEMBL5217338

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5ccc(F)c(F)c5)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.39
PDE5A O76074 1/20 0.38
HRH1 P35367 1/20 0.36
JAK2 O60674 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
SCN9A Q15858 1/20 0.35
GLP1R P43220 3/20 0.35
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
SMO Q99835 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 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
SCHEMBL5197220 0.93 HRH1 (0.41) GRIN2BPDE5AHRH1EGLN1SCN9A
SCHEMBL5222794 0.92 NR1H4 (0.36) JAK2SCN9AALDH1A1
SCHEMBL5196805 0.92 GRIN2B (0.40) GRIN2BHRH1EGLN1SCN9AGLP1R
SCHEMBL5197401 0.92 ALDH1A1 (0.39) GRIN2BHRH1EGLN1SCN9APRKCA
SCHEMBL5227324 0.91 HRH1 (0.37) GRIN2BHRH1EGLN1SCN9AGLP1R
SCHEMBL5196861 0.90 GRIN2B (0.39) GRIN2BHRH1EGLN1SCN9AGLP1R
SCHEMBL5197025 0.90 BRD4 (0.36) GRIN2BEGLN1SCN9APRKCAMMP12
SCHEMBL5197342 0.90 HPGD (0.41) GRIN2BEGLN1SCN9APRKCAMMP12
SCHEMBL5219759 0.90 TMEM97 (0.37) HRH1EGLN1SCN9APRKCAMMP12
SCHEMBL5197055 0.90 P2RY14 (0.39) GRIN2BEGLN1SCN9AGLP1RPRKCA

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 GRIN2B 1821/4885PDE5A 4249/4885HRH1 3066/4885

“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.