SCHEMBL5385015

SCHEMBL5385015

CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 20/20 1.00

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
SCHEMBL6479133 0.94 AGPAT2 (1.00) AGPAT2
SCHEMBL5385802 0.91 AGPAT2 (1.00) AGPAT2
SCHEMBL5369525 0.91 AGPAT2 (0.83) AGPAT2
SCHEMBL5375395 0.90 AGPAT2 (1.00) AGPAT2
SCHEMBL5371435 0.86 AGPAT2 (1.00) AGPAT2
SCHEMBL14439013 0.81 AGPAT2 (1.00) AGPAT2
SCHEMBL9911730 0.81 AGPAT2 (1.00) AGPAT2
SCHEMBL5373033 0.78 AGPAT2 (0.82) AGPAT2
SCHEMBL5379798 0.77 AGPAT2 (1.00) AGPAT2
SCHEMBL13880223 0.76 AGPAT2 (0.89) AGPAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6875781-B2 Pyridines and uses thereof CELL THERAPEUTICS, INC. (US) 2005-04-05 US claimed
US-9622993-B2 Thiosemicarbazones inhibitors of lysophosphatidic acid acyltransferase and uses thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-18 US disclosed
US-9622993-B2 Thiosemicarbazones inhibitors of lysophosphatidic acid acyltransferase and uses thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-18 US disclosed
US-20170027893-A1 THIOSEMICARBAZONES INHIBITORS OF LYSOPHOSPHATIDIC ACID ACYLTRANSFERASE AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-02-02 US disclosed
US-20170027893-A1 THIOSEMICARBAZONES INHIBITORS OF LYSOPHOSPHATIDIC ACID ACYLTRANSFERASE AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-02-02 US disclosed
WO-2015157242-A1 THIOSEMICARBAZONES INHIBITORS OF LYSOPHOSPHATIDIC ACID ACYLTRANSFERASE AND USES THEREOF H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-10-15 WO 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-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 (4 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 23/4885
US-20170027893-A1 THIOSEMICARBAZONES INHIBITORS OF LYSOPHOSPHATIDIC ACID ACYLTRANSFERASE AND USES THEREOF BRAF, PLAAT3, PLAAT2 AGPAT2 91/4885
US-20070178134-A1 Pyridines and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 24/4885
US-20050182102-A1 Pyridines and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 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.