SCHEMBL5375952

SCHEMBL5375952

COc1ccc(Cl)cc1-c1cc(Nc2ccc(C)cc2)cc(NC(C)=O)n1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 9/20 0.66
ADORA3 P0DMS8 7/20 0.53
ALDH1A1 P00352 1/20 0.52
ADORA2A P29274 2/20 0.45
ADORA2B P29275 1/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5375950 0.82 AGPAT2 (0.78) AGPAT2ALDH1A1
SCHEMBL14439011 0.80 AGPAT2 (1.00) AGPAT2ALDH1A1
SCHEMBL5375776 0.79 AGPAT2 (0.80) AGPAT2ALDH1A1
SCHEMBL14439009 0.77 AGPAT2 (1.00) AGPAT2ALDH1A1
SCHEMBL5380261 0.75 AGPAT2 (0.76) AGPAT2ALDH1A1
SCHEMBL13880180 0.74 AGPAT2 (0.88) AGPAT2
SCHEMBL14439012 0.73 AGPAT2 (1.00) AGPAT2ALDH1A1
SCHEMBL4286837 0.71 AGPAT2 (0.75) AGPAT2MAPT
SCHEMBL14439010 0.70 AGPAT2 (1.00) AGPAT2ALDH1A1
SCHEMBL11515491 0.70 ALDH1A1 (0.82) ALDH1A1LMNANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208507-B2 Lysophosphatidic acid acyltransferase beta inhibitors; antiproliferative agents, treating tumors; [2-Chloro-6-(5-chloro-2-methoxy-phenyl)-pyridin-4-yl]-p-tolyl-amine for example CELL THERAPEUTICS, INC. (US) 2007-04-24 US claimed
US-20070178134-A1 Pyridines and uses thereof CELL THERAPEUTICS, INC. (US) 2007-08-02 US disclosed
US-20070178134-A1 Pyridines and uses thereof CELL THERAPEUTICS, INC. (US) 2007-08-02 US disclosed
US-20070178134-A1 Pyridines and uses thereof CELL THERAPEUTICS, INC. (US) 2007-08-02 US disclosed
US-7208507-B2 Lysophosphatidic acid acyltransferase beta inhibitors; antiproliferative agents, treating tumors; [2-Chloro-6-(5-chloro-2-methoxy-phenyl)-pyridin-4-yl]-p-tolyl-amine for example CELL THERAPEUTICS, INC. (US) 2007-04-24 US disclosed
US-7208507-B2 Lysophosphatidic acid acyltransferase beta inhibitors; antiproliferative agents, treating tumors; [2-Chloro-6-(5-chloro-2-methoxy-phenyl)-pyridin-4-yl]-p-tolyl-amine for example CELL THERAPEUTICS, INC. (US) 2007-04-24 US disclosed
US-7208507-B2 Lysophosphatidic acid acyltransferase beta inhibitors; antiproliferative agents, treating tumors; [2-Chloro-6-(5-chloro-2-methoxy-phenyl)-pyridin-4-yl]-p-tolyl-amine for example CELL THERAPEUTICS, INC. (US) 2007-04-24 US disclosed
US-20050182102-A1 Pyridines and uses thereof CELL THERAPEUTICS, INC. (US) 2005-08-18 US disclosed
US-6875781-B2 Pyridines and uses thereof CELL THERAPEUTICS, INC. (US) 2005-04-05 US disclosed
US-20040198728-A1 Pyridines and uses thereof CELL THERAPEUTICS, INC. 2004-10-07 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 (3 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-20040198728-A1 Pyridines and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 23/4885ADORA3 1956/4885ALDH1A1 884/4885
US-20070178134-A1 Pyridines and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 24/4885ADORA3 1801/4885ALDH1A1 728/4885
US-20050182102-A1 Pyridines and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 24/4885ADORA3 1801/4885ALDH1A1 728/4885

“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.