SCHEMBL4361850

SCHEMBL4361850

O=CCc1ccc(Nc2cc(-c3ccccc3)nc(N3CCOCC3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 2/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
PIK3CA P42336 6/20 0.47
AKT1 P31749 1/20 0.47
HTT P42858 3/20 0.47
SMG1 Q96Q15 1/20 0.46
JAK2 O60674 1/20 0.46
ZAP70 P43403 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3997324 0.85 SPHK2 (0.41) NPSR1HSD17B10MAPTJAK2LMNA
SCHEMBL4123136 0.82 MAPT (0.55) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL4281796 0.81 ABL1 (0.48) HSD17B10TSHRMAPTMAPK1PIK3CA
SCHEMBL3451413 0.74 NPSR1 (0.67) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL13127183 0.72 TSHR (0.51) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL13127125 0.72 HRH1 (0.53) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL23259071 0.72 MAPT (0.71) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL13632612 0.71 HPGD (0.54) HSD17B10PIK3CASMG1JAK2POLB
SCHEMBL3353780 0.71 NPSR1 (0.69) NPSR1HSD17B10TSHRMAPTMAPK1
SCHEMBL3452088 0.70 MAPT (1.00) NPSR1HSD17B10TSHRMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPSR1 1415/4885HSD17B10 3093/4885TSHR 2855/4885

“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.