SCHEMBL5198145

SCHEMBL5198145

COc1ncccc1-c1ccc(-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
NR1I2 O75469 1/20 0.39
SCN9A Q15858 3/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DHODH Q02127 1/20 0.37
PTGS2 P35354 2/20 0.37
GRIN2B Q13224 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GRIN1 Q05586 1/20 0.37
METAP2 P50579 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
GSK3B P49841 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5197843 0.89 PRKCA (0.41) PRKCAMMP12NR1I2SCN9ADHODH
SCHEMBL5223713 0.89 PRKCA (0.43) PRKCAMMP12NR1I2SCN9A
SCHEMBL5434937 0.86 PTGS2 (0.46) PRKCAMMP12SCN9APTGS2GRIN2B
SCHEMBL5198351 0.86 PRKCA (0.44) PRKCAMMP12NR1I2SCN9APTGS2
SCHEMBL5934788 0.86 SCN9A (0.39) PRKCAMMP12NR1I2SCN9APTGS2
SCHEMBL5198176 0.86 GRIN1 (0.46) SCN9APTGS2GRIN2BGRIN1L3MBTL1
SCHEMBL5198409 0.85 GRIN2B (0.43) PRKCAMMP12NR1I2SCN9APTGS2
SCHEMBL5439046 0.85 PRKCA (0.44) PRKCAMMP12NR1I2SCN9APTGS2
SCHEMBL5197980 0.84 GRIN2B (0.43) PRKCAMMP12NR1I2SCN9APTGS2
SCHEMBL5217612 0.84 SCN9A (0.41) PRKCAMMP12NR1I2SCN9APTGS2

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 PRKCA 4500/4885MMP12 4114/4885NR1I2 95/4885

“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.