SCHEMBL831688

SCHEMBL831688

COB(OC)c1cccnc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.43
BTK Q06187 1/20 0.39
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GRM5 P41594 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
NFE2L2 Q16236 2/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
SLC13A5 Q86YT5 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL29489857 0.82 ENPP2 (0.47) APLNRBTKCHRNB4CHRNA3NPC1
SCHEMBL4794 0.82 ENPP2 (0.47) APLNRBTKCHRNB4CHRNA3NPC1
Water SCHEMBL29953222 0.80 ENPP2 (0.45) APLNRBTKCHRNB4CHRNA3NPC1
Hydrochloric Acid SCHEMBL29955441 0.80 ENPP2 (0.45) APLNRBTKCHRNB4CHRNA3NPC1
Water SCHEMBL1543573 0.80 ENPP2 (0.45) APLNRBTKCHRNB4CHRNA3NPC1
SCHEMBL11989067 0.78 APLNR (0.42) APLNRBTKCHRNB4CHRNA3NPC1
SCHEMBL12633440 0.76 NAPRT (0.37) PDGFRBPDGFRANFE2L2CLK4
SCHEMBL129117 0.70
SCHEMBL63365 0.70 CHRNB4 (0.49) APLNRBTKCHRNB4CHRNA3NPC1
SCHEMBL29612256 0.70 CHRNB4 (0.49) APLNRBTKCHRNB4CHRNA3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US 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 (2 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 APLNR 2344/4885BTK 3367/4885CHRNB4 4344/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 APLNR 3002/4885BTK 2190/4885CHRNB4 4117/4885

“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.