SCHEMBL13705348

SCHEMBL13705348

CC(C)(C)c1ccc(OCC[C@@H]2CN(C(=O)OCc3ccccc3)CCN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.44
KMT2A Q03164 3/20 0.42
CXCR4 P61073 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
BCHE P06276 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 2/20 0.40
SLC6A5 Q9Y345 1/20 0.40
MEN1 O00255 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL4860543 0.90 SMN1; SMN2 (0.47) GRIN2BKMT2ACXCR4GAASMN1; SMN2
SCHEMBL13340760 0.90 SMN1; SMN2 (0.47) GRIN2BKMT2ACXCR4GAASMN1; SMN2
SCHEMBL4860535 0.90 SMN1; SMN2 (0.47) GRIN2BKMT2ACXCR4GAASMN1; SMN2
SCHEMBL13705354 0.89 CXCR4 (0.43) GRIN2BKMT2ACXCR4GAAKDM4E
SCHEMBL13705350 0.87 BCL9 (0.44) GRIN2BKMT2ACXCR4SMN1; SMN2RAB9A
SCHEMBL13705157 0.85 CXCR4 (0.47) GRIN2BKMT2ACXCR4GAAKDM4E
SCHEMBL13705349 0.85 GPR183 (0.45) KMT2ACXCR4GAASMN1; SMN2RAB9A
SCHEMBL4290773 0.85 KMT2A (0.46) KMT2AKDM4EHRH2HRH1SMN1; SMN2
SCHEMBL8124047 0.85 GPR183 (0.43) GRIN2BKMT2ACXCR4SMN1; SMN2RAB9A
SCHEMBL13705345 0.84 CXCR4 (0.41) KMT2ACXCR4GAAKDM4ESMN1; SMN2

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 GRIN2B 3673/4885KMT2A 1049/4885CXCR4 3648/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GRIN2B 3673/4885KMT2A 1049/4885CXCR4 3648/4885

“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.