SCHEMBL8005530

SCHEMBL8005530

COc1ccc(Sc2c(-c3ccc(-c4nnco4)cc3)nc(-c3ccccn3)n2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
RAB9A P51151 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 3/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
PPP1CA P62136 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TGFBR1 P36897 2/20 0.38
EDNRA P25101 1/20 0.38
NOTUM Q6P988 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8001993 0.91 FAAH (0.52) FAAHRAB9AL3MBTL1NPC1PKM
SCHEMBL8004010 0.89 FAAH (0.61) FAAHRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL8011114 0.89 FAAH (0.50) FAAHRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL8001935 0.89 FAAH (0.47) FAAHRAB9AL3MBTL1NPC1HSP90AA1
SCHEMBL12106423 0.86 FAAH (0.49) FAAHRAB9ANPC1PKMALDH1A1
SCHEMBL8002857 0.85 FAAH (0.48) FAAHRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12108099 0.81 FAAH (0.40) FAAHRAB9AL3MBTL1NPC1HSP90AA1
SCHEMBL12106397 0.81 FAAH (0.43) FAAHRAB9AL3MBTL1NPC1PKM
SCHEMBL1304556 0.80 NOTUM (0.43) FAAHRAB9ANPC1PKMALDH1A1
SCHEMBL1303819 0.79 FAAH (0.50) FAAHL3MBTL1ALDH1A1HTTEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
WO-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HNMT FAAH 1/4885RAB9A 4087/4885L3MBTL1 4341/4885

“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.