SCHEMBL13705158

SCHEMBL13705158

CCOC(=O)c1cc(C)nn1CCC[C@@H]1CN(C(=O)OCc2ccccc2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
POLB P06746 1/20 0.39
STING1 Q86WV6 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP2C19 P33261 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.37
FAAH O00519 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4280918 0.87 REN (0.34) SMN1; SMN2POLBRAB9ATDP1CYP2C19
SCHEMBL4285094 0.81 SMN1; SMN2 (0.35) SMN1; SMN2POLBRAB9ATDP1CYP2C19
SCHEMBL8112938 0.78 SMN1; SMN2 (0.50) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13705175 0.77 CXCR4 (0.49) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13705177 0.77 POLB (0.46) CXCR4SMN1; SMN2POLBNPC1RAB9A
SCHEMBL13705137 0.76 PARP1 (0.51) SMN1; SMN2POLBSTING1TDP1MEN1
SCHEMBL10991705 0.76 SMN1; SMN2 (0.52) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31701275 0.76 SMN1; SMN2 (0.52) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13705147 0.75 GRIN2B (0.44) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL27028458 0.75 SMN1; SMN2 (0.52) SMN1; SMN2POLBRAB9ATDP1MEN1

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 4 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

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 CXCR4 3648/4885SMN1; SMN2 4811/4885POLB 3799/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CXCR4 3648/4885SMN1; SMN2 4811/4885POLB 3799/4885

“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.