SCHEMBL4284575

SCHEMBL4284575

CC(C)c1nc2cc(O)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.50
CA2 P00918 1/20 0.49
APP P05067 2/20 0.48
ILK Q13418 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.40
AAK1 Q2M2I8 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
TYR P14679 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CASR P41180 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL10219916 0.86 HTT (0.56) DYRK1ACA2APPNPC1RAB9A
SCHEMBL889391 0.80 RAB9A (0.49) NPC1RAB9AKDM4EMAPTAAK1
SCHEMBL890259 0.80 CASR (0.51) DYRK1ANPC1RAB9AKDM4EMAPT
SCHEMBL31085165 0.79 UGT2B7 (0.44) NPC1RAB9AMAPTAAK1GAA
SCHEMBL1390466 0.79 DYRK1A (0.58) DYRK1ACA2APPTYRCLK1
SCHEMBL24690847 0.79 AAK1 (0.40) NPC1RAB9ANPSR1AAK1LOXL2
SCHEMBL4973853 0.79 MAPT (0.53) APPNPC1RAB9AKDM4EMAPT
SCHEMBL15481035 0.79 PPARA (0.51) DYRK1ANPC1RAB9AAAK1GAA
SCHEMBL5413007 0.79 MAPT (0.53) APPNPC1RAB9AKDM4EMAPT
SCHEMBL15481036 0.79 SMN1; SMN2 (0.56) NPC1RAB9ANPSR1AAK1GAA

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
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DYRK1A 4456/4885CA2 218/4885APP 1773/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DYRK1A 4456/4885CA2 218/4885APP 1773/4885

“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.