SCHEMBL5779693

SCHEMBL5779693

CCCCCn1cc(-c2nc(Cc3ccccc3)no2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHUK O15111 1/20 0.47
TXNRD1 Q16881 1/20 0.47
NOX4 Q9NPH5 1/20 0.47
CNR2 P34972 4/20 0.47
TLR8 Q9NR97 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL5781295 0.82 NPC1 (0.46) NPC1MAPK1RAB9ASMN1; SMN2TDP1
SCHEMBL5777096 0.81 NPC1 (0.46) NPC1MAPK1RAB9ASMN1; SMN2TDP1
SCHEMBL5780241 0.81 CNR1 (0.49) NPC1MAPK1RAB9ASMN1; SMN2TDP1
SCHEMBL5778289 0.74 CNR1 (0.44) SMN1; SMN2CNR2
SCHEMBL5781315 0.74 MKNK2 (0.50) MAPK1L3MBTL1CNR2
SCHEMBL5780936 0.72 CNR1 (0.48) CNR2
SCHEMBL5781631 0.72 BCHE (0.44) CNR2
SCHEMBL5778390 0.71 FLT1 (0.45) CNR2
SCHEMBL5781112 0.69 FLT1 (0.48) CNR2
SCHEMBL7712112 0.68 CNR2 (0.59) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339710-B1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2006-03-01 EP claimed
EP-1339710-A4 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2004-05-12 EP claimed
US-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2004-02-19 US claimed
EP-1339710-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES Amrad Operations Pty.,Ltd. (AU) 2003-09-03 EP claimed
WO-2002036590-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2002-05-10 WO claimed
US-6930118-B2 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2005-08-16 US disclosed
US-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2004-02-19 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 (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-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives CNR1, CNR2, OPRK1 NPC1 1737/4885MAPK1 1339/4885RAB9A 2178/4885

“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.