SCHEMBL4291165

SCHEMBL4291165

COc1ccc(NCC[C@@H]2CN(Cc3ccccc3)CCN2C(=O)c2ncn(CC3(O)CCCCC3)c2-c2ccccc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
USP7 Q93009 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
GSK3B P49841 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EED O75530 1/20 0.33
WNK1 Q9H4A3 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL4283986 0.88 ALDH1A1 (0.34) USP7LMNABCHE
SCHEMBL4286033 0.87 USP19 (0.43) USP7
SCHEMBL4294599 0.76 USP7 (0.36) USP7
SCHEMBL4288789 0.76 USP19 (0.38) USP7
SCHEMBL4291076 0.74 USP19 (0.41) USP7
SCHEMBL4284658 0.74 KCNH2 (0.42) KCNH2MCHR1MEN1KMT2AACHE
SCHEMBL4291191 0.72 USP19 (0.38)
SCHEMBL4281300 0.72 USP19 (0.39) USP7
SCHEMBL4287787 0.71 USP19 (0.37)
SCHEMBL4290397 0.70 CA1 (0.40) USP7

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 5 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-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

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 KCNH2 664/4885USP7 2123/4885SIGMAR1 3163/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KCNH2 664/4885USP7 2123/4885SIGMAR1 3163/4885

“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.