SCHEMBL572591

SCHEMBL572591

CC(C)(C)OC(=O)N1CCN(C(=O)C2CCC(Nc3cc(Cl)ncc3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
HPGD P15428 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
MET P08581 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
STS P08842 2/20 0.39
SFRP1 Q8N474 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
SCHEMBL572590 1.00 CNR1 (0.42) CNR1HPGDFNTAFNTBDCTPP1
SCHEMBL572380 0.92 CNR1 (0.48) CNR1ALDH1A1MAPTMAPK1NPC1
SCHEMBL10270252 0.89 SETD7 (0.37) CNR1DCTPP1ALDH1A1MAPTMAPK1
SCHEMBL15192877 0.89 SETD7 (0.37) CNR1DCTPP1ALDH1A1MAPTMAPK1
SCHEMBL572206 0.89 SETD7 (0.37) CNR1DCTPP1ALDH1A1MAPTMAPK1
SCHEMBL572364 0.88 DCTPP1 (0.44) CNR1DCTPP1ALDH1A1MAPTMAPK1
SCHEMBL29492849 0.83 BTK (0.41) ALDH1A1L3MBTL1GPR119
SCHEMBL572471 0.82 NSD2 (0.44) HPGDALDH1A1MAPTMAPK1HTT
SCHEMBL10270106 0.82 NSD2 (0.44) HPGDALDH1A1MAPTMAPK1HTT
SCHEMBL28380093 0.82 PTPN2 (0.45) CNR1ALDH1A1MAPTMAPK1NPC1

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 CNR1 4513/4885HPGD 2925/4885FNTA 2854/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 CNR1 4513/4885HPGD 2925/4885FNTA 2854/4885

“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.