SCHEMBL5386005

SCHEMBL5386005

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
AGPAT2 O15120 11/20 0.55
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
PRNP P04156 1/20 0.48
PPARG P37231 1/20 0.48
MAPK10 P53779 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL5375905 0.86 AGPAT2 (0.67) ALDH1A1KDM4EAGPAT2HSP90AA1HSP90AB1
SCHEMBL4286846 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EAGPAT2HPGDUSP2
SCHEMBL4280537 0.83 HSP90AA1 (0.71) ALDH1A1KDM4EAGPAT2HSP90AA1HSP90AB1
SCHEMBL5380261 0.82 AGPAT2 (0.76) ALDH1A1KDM4EAGPAT2
Ammonia Solution, Strong SCHEMBL5380432 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EAGPAT2HPGDUSP2
SCHEMBL4279053 0.79 RECQL (0.60) ALDH1A1KDM4EAGPAT2HPGDUSP2
SCHEMBL5375950 0.79 AGPAT2 (0.78) ALDH1A1KDM4EAGPAT2
SCHEMBL7699644 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EAGPAT2HPGDUSP2
SCHEMBL4281980 0.76 AGPAT2 (0.67) ALDH1A1KDM4EAGPAT2HSP90AA1HSP90AB1
SCHEMBL5375776 0.76 AGPAT2 (0.80) ALDH1A1KDM4EAGPAT2

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

“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.