SCHEMBL5375905

SCHEMBL5375905

COc1ccc(Cl)cc1-c1cc(N)cc(Cl)n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 13/20 0.67
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HSP90AA1 P07900 3/20 0.51
HSP90AB1 P08238 3/20 0.51
RECQL P46063 1/20 0.50
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL5386005 0.86 ALDH1A1 (0.57) AGPAT2ALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL4280537 0.85 HSP90AA1 (0.71) AGPAT2ALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL14439010 0.81 AGPAT2 (1.00) AGPAT2ALDH1A1KDM4E
SCHEMBL4286846 0.80 ALDH1A1 (0.55) AGPAT2ALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL4281980 0.79 AGPAT2 (0.67) AGPAT2ALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL5380261 0.78 AGPAT2 (0.76) AGPAT2ALDH1A1KDM4E
SCHEMBL14439009 0.78 AGPAT2 (1.00) AGPAT2ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL5380432 0.77 ALDH1A1 (0.55) AGPAT2ALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL4281666 0.76 AGPAT2 (0.67) AGPAT2ALDH1A1KDM4ERECQLMEN1
SCHEMBL1915457 0.76 ALDH1A1 (1.00) AGPAT2ALDH1A1KDM4ERECQLMEN1

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-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-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 23/4885ALDH1A1 884/4885KDM4E 879/4885
US-20070178134-A1 Pyridines and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 24/4885ALDH1A1 728/4885KDM4E 1025/4885
US-20050182102-A1 Pyridines and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 24/4885ALDH1A1 728/4885KDM4E 1025/4885

“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.