SCHEMBL3671740

SCHEMBL3671740

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.37
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 5/20 0.35
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
C1S P09871 1/20 0.35
GFER P55789 2/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 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
SCHEMBL3675051 0.88 FPR2 (0.37) FPR2GABRA1GABRG2GABRB3GABRA3
SCHEMBL3677868 0.87 GABRA1 (0.37) FPR2GABRA1GABRG2GABRB3GABRA3
SCHEMBL3625504 0.85 MAPT (0.40) ALDH1A1MAPTRAB9AGAASMN1; SMN2
SCHEMBL12070947 0.83 KDM4E (0.41) ALDH1A1MAPTRAB9AGAASMN1; SMN2
SCHEMBL7917644 0.81 SREBF2 (0.41) ALDH1A1MAPTRAB9AGAASMN1; SMN2
SCHEMBL313693 0.81 CTSS (0.38) ALDH1A1MAPTRAB9AGAASMN1; SMN2
SCHEMBL1232405 0.80 ALDH1A1 (0.35) ALDH1A1MAPTRAB9AGAASMN1; SMN2
SCHEMBL312942 0.80 ALDH1A1 (0.35) ALDH1A1MAPTRAB9AGAASMN1; SMN2
SCHEMBL996348 0.78 SMPD3 (0.47) MAPTRAB9AGAASMN1; SMN2GFER
SCHEMBL996175 0.78 MEN1 (0.35) ALDH1A1MAPTRAB9AGAASMN1; SMN2

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 FPR2 1939/4885GABRA1 3572/4885GABRG2 3120/4885

“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.