SCHEMBL4123136

SCHEMBL4123136

CC(=O)c1ccc(Nc2cc(-c3ccccc3)nc(N3CCOCC3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
HSD17B10 Q99714 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
PTGS2 P35354 1/20 0.55
ALDH1A1 P00352 3/20 0.51
APAF1 O14727 1/20 0.51
GAA P10253 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MOK Q9UQ07 1/20 0.49
HTT P42858 3/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PIK3CA P42336 4/20 0.48
MTOR P42345 2/20 0.48

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
SCHEMBL3450954 0.88 PTGS2 (0.62) MAPTHSD17B10NPSR1TSHRMAPK1
SCHEMBL4129967 0.86 HTT (0.43) MAPTNPSR1TSHRPTGS2ALDH1A1
SCHEMBL3998633 0.82 PTGS2 (0.59) MAPTPTGS2ALDH1A1APAF1GAA
SCHEMBL4361850 0.82 NPSR1 (0.53) MAPTHSD17B10NPSR1TSHRMAPK1
SCHEMBL4358479 0.81 ABL1 (0.55) MAPTMAPK1NPC1RAB9APIK3CA
SCHEMBL3453248 0.78 MEN1 (0.57) MAPTHSD17B10NPSR1TSHRMAPK1
SCHEMBL3451650 0.78 MAPT (0.55) MAPTHSD17B10NPSR1TSHRMAPK1
SCHEMBL3451674 0.78 PTGS2 (0.60) MAPTPTGS2GAAPIK3CAMTOR
SCHEMBL13632703 0.77 CNR1 (0.48) MAPT
SCHEMBL4363470 0.76 NPC1 (0.52) MAPTALDH1A1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP claimed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP claimed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 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 (1 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP MAPT 4192/4885HSD17B10 3093/4885NPSR1 1415/4885

“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.