SCHEMBL5196448

SCHEMBL5196448

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4ncc(-c5ccccc5)cc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.48
SCN9A Q15858 3/20 0.42
GRIN1 Q05586 1/20 0.42
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MTOR P42345 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5198620 0.92 GRIN2B (0.49) GRIN2BSCN9AMKNK1MKNK2MTOR
SCHEMBL5199183 0.84 SCN9A (0.42) GRIN2BSCN9AGRIN1
SCHEMBL5197595 0.82 HPGD (0.47) GRIN2BSCN9A
SCHEMBL5198412 0.82 HPGD (0.44) GRIN2BSCN9A
SCHEMBL5196260 0.82 GRIN2B (0.40) GRIN2BSCN9AMAPT
SCHEMBL5934718 0.82 NR1H4 (0.42) GRIN2BSCN9AGRIN1
SCHEMBL5303597 0.81 MTOR (0.39) SCN9AMTORMAPT
SCHEMBL5198409 0.81 GRIN2B (0.43) GRIN2BSCN9AMAPT
SCHEMBL5197401 0.81 ALDH1A1 (0.39) GRIN2BSCN9A
SCHEMBL5197808 0.81 SCN9A (0.38) GRIN2BSCN9AGRIN1

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 3 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 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 1821/4885SCN9A 4015/4885GRIN1 2140/4885

“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.