SCHEMBL5223461

SCHEMBL5223461

O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccc4ncc(-c5ccccc5F)nc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.43
HPGD P15428 3/20 0.41
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
HRH1 P35367 1/20 0.37
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
NR1I2 O75469 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
SCN9A Q15858 1/20 0.36
EGLN1 Q9GZT9 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
SCHEMBL5196039 0.97 GRIN2B (0.43) GRIN2BHPGDALOX5APFEN1HRH1
SCHEMBL5197595 0.92 HPGD (0.47) GRIN2BHPGDBRD4CREBBPSCN9A
SCHEMBL5196861 0.91 GRIN2B (0.39) GRIN2BALOX5APFEN1HRH1PRKCA
SCHEMBL5198412 0.89 HPGD (0.44) GRIN2BHPGDHRH1PRKCAMMP12
SCHEMBL5197994 0.87 GRIN2B (0.41) GRIN2BHRH1PRKCAMMP12NR1I2
SCHEMBL5197980 0.87 GRIN2B (0.43) GRIN2BHRH1PRKCAMMP12NR1I2
SCHEMBL5198620 0.85 GRIN2B (0.49) GRIN2BSCN9AEGLN1
SCHEMBL5227324 0.85 HRH1 (0.37) GRIN2BHRH1PRKCAMMP12NR1I2
SCHEMBL5197401 0.83 ALDH1A1 (0.39) GRIN2BHPGDHRH1PRKCAMMP12
SCHEMBL5197903 0.83 PRKCA (0.41) GRIN2BHPGDHRH1PRKCAMMP12

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 1821/4885HPGD 2684/4885ALOX5AP 2964/4885

“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.