SCHEMBL572373

SCHEMBL572373

COc1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.55
TLR4 O00206 1/20 0.52
TLR2 O60603 1/20 0.52
MAOB P27338 2/20 0.48
CYP19A1 P11511 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
APP P05067 5/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CNR2 P34972 1/20 0.46
ATM Q13315 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
SCHEMBL22588394 0.89 PTGES (0.55) PTGESTLR4TLR2MAOBCYP19A1
SCHEMBL1578696 0.89 ATM (0.56) PTGESTLR4TLR2MAOBTDP1
SCHEMBL9114209 0.86 MAOB (0.56) PTGESTLR4TLR2MAOBTDP1
SCHEMBL29463874 0.86 PTGES (0.61) PTGESTLR4TLR2MAOBTDP1
SCHEMBL519418 0.86 PTGES (0.61) PTGESTLR4TLR2MAOBTDP1
SCHEMBL4341126 0.85 PTGES (0.61) PTGESMAOB
SCHEMBL2987569 0.84 TLR4 (0.53) PTGESTLR4TLR2MAOBCYP19A1
SCHEMBL30792379 0.84 MAOB (0.51) PTGESMAOBTDP1NPC1RAB9A
SCHEMBL29445159 0.83 TDP1 (0.58) TDP1NPC1RAB9AMEN1LMNA
SCHEMBL6520 0.83 TDP1 (0.58) TDP1NPC1RAB9AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 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 (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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 PTGES 3624/4885TLR4 4434/4885TLR2 4527/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 PTGES 3624/4885TLR4 4434/4885TLR2 4527/4885

“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.