SCHEMBL4585652

SCHEMBL4585652

c1csc(-c2c(-c3cccs3)c3ccc4cccc5cc(-c6cccs6)c(c2-c2cccs2)c3c45)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.38
TMIGD3 P0DMS9 3/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 2/20 0.38
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.36
CYP1A2 P05177 2/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 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
SCHEMBL28828009 0.87 MAOB (0.43) NPC1RAB9AATMTMIGD3ADORA2A
SCHEMBL24186738 0.77 ALDH1A1 (0.39) NPC1RAB9AATMTMIGD3ADORA2A
SCHEMBL30307080 0.77 ERBB2 (0.41) NPC1RAB9ATMIGD3ADORA2AADORA1
SCHEMBL8935142 0.75 ALDH1A1 (0.42) NPC1RAB9AATMTMIGD3ADORA2A
SCHEMBL25230155 0.74 ALDH1A1 (0.34) NPC1RAB9ATMIGD3ADORA2AADORA1
SCHEMBL4023261 0.69 RAB9A (0.44) NPC1RAB9AATMTMIGD3ADORA2A
SCHEMBL28711711 0.69 CHEK1 (0.35) NPC1RAB9ATMIGD3ADORA2AADORA1
SCHEMBL9559475 0.69 ALDH1A1 (0.50) NPC1RAB9AATMTMIGD3ADORA2A
SCHEMBL14302443 0.67 MAOB (0.41) NPC1RAB9AATMTMIGD3ADORA2A
SCHEMBL28462222 0.67 ALDH1A1 (0.43) NPC1RAB9AATMMAOBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080105865-A1 Pyrene Based Compound and Light Emitting Transistor Element Using the Same PIONEER CORPORATION (JP) 2008-05-08 US disclosed
EP-1816114-A1 PYRENE COMPOUND AND LIGHT EMITTING TRANSISTOR DEVICE UTILIZING THE SAME Rohm Co., Ltd. (JP) 2007-08-08 EP 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-20080105865-A1 Pyrene Based Compound and Light Emitting Transistor Element Using the Same CYP1A1, SULT1A1, SULT1E1 NPC1 715/4885RAB9A 1745/4885ATM 2606/4885

“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.