SCHEMBL811950

SCHEMBL811950

CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
EYA3 Q99504 2/20 0.43
PTPN1 P18031 1/20 0.43
TTR P02766 1/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
EIF4A1 P60842 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4883958 0.89 CA12 (0.57) CA12CA9TDP1MAPK1ALDH1A1
SCHEMBL4274820 0.89 CA12 (0.48) CA12CA9TDP1MAPK1ALDH1A1
SCHEMBL4892128 0.88 CA12 (0.47) CA12CA9TDP1MAPK1ALDH1A1
SCHEMBL446008 0.85 EYA3 (0.52) TDP1MAPK1EYA3PTPN1TTR
SCHEMBL4891172 0.85 EYA3 (0.57) TDP1MAPK1EYA3PTPN1TTR
SCHEMBL282873 0.84 EYA3 (0.65) CA12CA9TDP1MAPK1EYA3
SCHEMBL4891187 0.84 CA12 (0.44) CA12CA9TDP1MAPK1ALDH1A1
SCHEMBL15362406 0.84 EYA3 (0.53) TDP1MAPK1ALDH1A1MAPTEYA3
SCHEMBL29464057 0.84 EYA3 (0.65) CA12CA9TDP1MAPK1EYA3
SCHEMBL12964086 0.83 EYA3 (0.52) TDP1MAPK1EYA3PTPN1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512097-B2 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-12-06 US disclosed
US-9512097-B2 Process for the preparation of 3-aroyl-5-aminobenzofuran derivatives LEK PHARMACEUTICALS D.D. (SI) 2016-12-06 US disclosed
EP-1699772-B1 PROCESS FOR THE PREPERATION OF N-ALKYL-2(HYDROXY-4 BENZOYL)-3 BENZOFURANS AND ITS INTERMEDIATES THEREOF CLARIANT SPECIALTY FINE CHEM F (FR) 2013-02-20 EP disclosed
EP-2508517-A1 Process for the preparation of N-alkyl-2(hydroxy-4 benzoyl)-3 benzofurans and its intermediates thereof Clariant Specialty Fine Chemicals (France) (FR) 2012-10-10 EP disclosed
US-20110178314-A1 PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS LONZA AG (CH) 2011-07-21 US disclosed
EP-2344467-A1 PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS Lonza Ltd. (CH) 2011-07-20 EP disclosed
EP-2246341-A1 Process for preparing 2-Alkyl-3-aroyl-5-nitro-benzofurans Lonza Ltd. (CH) 2010-11-03 EP disclosed
WO-2010040261-A1 PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS LONZA LTD (CH) 2010-04-15 WO disclosed
US-7544817-B2 Process for the preparation of n-alkyl-2(hydroxy-4benzoyl)-3 benzofurans and intermediates thereof CLARIANT (FRANCE) (FR) 2009-06-09 US disclosed
US-20070155831-A1 Process for the preparation of n-alkyl-2(hydroxy-4 benzoyl)-3 benzofurans and its intermediates thereof WEYLCHEM LAMOTTE S.A.S. (FR) 2007-07-05 US disclosed
EP-1699772-A1 PROCESS FOR THE PREPERATION OF N-ALKYL-2(HYDROXY-4 BENZOYL)-3 BENZOFURANS AND ITS INTERMEDIATES THEREOF Clariant (France) S.A. (FR) 2006-09-13 EP disclosed
WO-2005066149-A1 PROCESS FOR THE PREPERATION OF N-ALKYL-2(HYDROXY-4 BENZOYL)-3 BENZOFURANS AND ITS INTERMEDIATES THEREOF CLARIANT (FRANCE) (FR) 2005-07-21 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-20070155831-A1 Process for the preparation of n-alkyl-2(hydroxy-4 benzoyl)-3 benzofurans and its intermediates thereof CYP2F1, CYP2E1, CYP1B1 CA12 4189/4885CA9 3924/4885TDP1 3089/4885
US-20110178314-A1 PROCESS FOR PREPARING 2-ALKYL-3-AROYL-5-NITRO-BENZOFURANS NR4A3, CBR3, NR4A1 CA12 3975/4885CA9 2472/4885TDP1 3657/4885

“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.