SCHEMBL3677868

SCHEMBL3677868

COc1ccc2c(Cl)cc(-c3nc(C4CC4)cs3)nc2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
FPR2 P25090 1/20 0.35
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
PPARG P37231 1/20 0.34
GFER P55789 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3672299 0.90 FPR2 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3671740 0.87 FPR2 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL874861 0.81 CTSS (0.36) ALDH1A1KDM4ETDP1MAPTNPC1
SCHEMBL3675051 0.79 FPR2 (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8005668 0.79 C1S (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL8008384 0.79 ALDH1A1 (0.36) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15216098 0.75 C1S (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13637183 0.73 MAPT (0.42) ALDH1A1KDM4ETDP1MAPTNPC1
SCHEMBL314537 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL577283 0.71 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393493-A1 COMPOUNDS GlaxoSmithKline LLC (US) 2011-12-14 EP disclosed
WO-2011150190-A2 HCV INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2011150190-A2 HCV INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 US disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 US disclosed
US-20100196321-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 US disclosed
WO-2010088394-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 WO disclosed
WO-2010088394-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-05 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-20100196321-A1 COMPOUNDS HAVCR2, ACE, ACE2 GABRA1 3572/4885GABRG2 3120/4885GABRB3 2967/4885

“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.