SCHEMBL3606812

SCHEMBL3606812

O=C(O)c1cccnc1OCCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.49
PLA2G4B P0C869 1/20 0.49
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
ASPH Q12797 2/20 0.47
KDM8 Q8N371 2/20 0.47
KMT2A Q03164 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
FAAH O00519 2/20 0.45
DAGLA Q9Y4D2 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45

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
SCHEMBL11451808 0.82 PTPN1 (0.57) L3MBTL1PLA2G4BALDH1A1KMT2AMAPT
SCHEMBL3604199 0.81 L3MBTL1 (0.61) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6160250 0.80 PTPN1 (0.55) L3MBTL1PLA2G4BALDH1A1KMT2AMAPT
SCHEMBL1722473 0.80 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3598246 0.79 HCAR2 (0.45) PLA2G4BFFAR1KMT2ADAGLAHCAR2
SCHEMBL3084388 0.78 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL2446724 0.78 ALDH1A1 (0.65) NPC1RAB9ASMN1; SMN2PLA2G4BFFAR1
SCHEMBL2130083 0.77 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6043383 0.77 KDM4E (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8882396 0.77 ASPH (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
EP-1216223-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019778-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA NPC1 965/4885RAB9A 3540/4885SMN1; SMN2 3741/4885

“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.