SCHEMBL5375847

SCHEMBL5375847

NC1=NC=CC(N)(c2ccc(Cl)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KDM1A O60341 1/20 0.34
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
BACE1 P56817 2/20 0.32
HSD11B1 P28845 4/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSD P07339 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
DHFR P00374 1/20 0.31

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
SCHEMBL5374545 0.83 MAOB (0.34) MAOAMAOB
SCHEMBL6360450 0.68 MAOA (0.36) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL12696323 0.67 MAOB (0.42) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL6361145 0.66 MAOA (0.34) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL4078451 0.63
SCHEMBL668905 0.60 SLC6A4 (0.47) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL4803476 0.58
SCHEMBL1492744 0.57 SLC6A4 (0.48) MAOAMAOBKDM1ASLC6A4SLC6A3
SCHEMBL8478708 0.57 SLC6A4 (0.53) SLC6A4SLC6A3
SCHEMBL4125543 0.55 SLC6A4 (0.57) SLC6A4SLC6A3

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 6 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-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 MAOA 535/4885MAOB 833/4885KDM1A 880/4885
US-20070178134-A1 Pyridines and uses thereof LPCAT3, LPCAT1, PLAAT2 MAOA 684/4885MAOB 753/4885KDM1A 1010/4885
US-20050182102-A1 Pyridines and uses thereof LPCAT3, LPCAT1, PLAAT2 MAOA 684/4885MAOB 753/4885KDM1A 1010/4885

“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.