SCHEMBL13705343

SCHEMBL13705343

O=C(OCc1ccccc1)N1CCN[C@H](CCOc2ccc3oc(C4CC4)nc3c2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
CXCR4 P61073 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
USP30 Q70CQ3 1/20 0.38
THRB P10828 1/20 0.38
GRIN2B Q13224 4/20 0.38
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HDAC4 P56524 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LCK P06239 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
SCHEMBL8112899 0.89 CXCR4 (0.39) CXCR4GRIN2BENPP2ATXN2SIGMAR1
SCHEMBL4281943 0.88 POLB (0.43) POLBLMNAMAPTTP53SMN1; SMN2
SCHEMBL8118254 0.88 NPC1 (0.43) CXCR4GRIN2BSIGMAR1NPC1RAB9A
SCHEMBL8104556 0.83 CXCR4 (0.39) CXCR4GRIN2BENPP2ATXN2SIGMAR1
SCHEMBL8124047 0.82 GPR183 (0.43) POLBCXCR4MAPTSMN1; SMN2USP30
SCHEMBL8104479 0.81 CXCR4 (0.39) CXCR4GRIN2BENPP2ATXN2SIGMAR1
SCHEMBL8113782 0.81 PARP1 (0.47) POLBLMNAMAPTTP53SMN1; SMN2
SCHEMBL13340760 0.80 SMN1; SMN2 (0.47) CXCR4MAPTSMN1; SMN2GRIN2BCYP2D6
SCHEMBL4860535 0.80 SMN1; SMN2 (0.47) CXCR4MAPTSMN1; SMN2GRIN2BCYP2D6
SCHEMBL4860543 0.80 SMN1; SMN2 (0.47) CXCR4MAPTSMN1; SMN2GRIN2BCYP2D6

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 POLB 3799/4885CXCR4 3648/4885LMNA 1785/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT POLB 3799/4885CXCR4 3648/4885LMNA 1785/4885

“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.