SCHEMBL4289825

SCHEMBL4289825

O=C(O)N1CCN(Cc2ccccc2)C[C@H]1Cc1nnc(-c2ccccc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.60
ALDH1A1 P00352 2/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
RAB9A P51151 4/20 0.46
ATM Q13315 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA9 Q16790 2/20 0.45
GAA P10253 1/20 0.45
ROCK1 Q13464 1/20 0.44
NPC1 O15118 3/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL13705087 0.86 KCNH2 (0.52) KCNH2ALDH1A1POLBKMT2AMEN1
SCHEMBL3494525 0.80 CA1 (0.63) CA1CA2CA4CA9ROCK1
SCHEMBL1779344 0.80 HCRTR1 (0.58) KCNH2ALDH1A1POLBKMT2AMEN1
SCHEMBL1779345 0.80 HCRTR1 (0.58) KCNH2ALDH1A1POLBKMT2AMEN1
SCHEMBL1778185 0.79 HCRTR2 (0.55) KCNH2ALDH1A1POLBKMT2AMEN1
SCHEMBL1778183 0.79 HCRTR2 (0.55) KCNH2ALDH1A1POLBKMT2AMEN1
SCHEMBL4284658 0.77 KCNH2 (0.42) KCNH2ALDH1A1POLBKMT2AMEN1
SCHEMBL28429511 0.75 SIGMAR1 (0.54) ALDH1A1KMT2ACA1CA2CA4
SCHEMBL3496353 0.75 SIGMAR1 (0.54) ALDH1A1KMT2ACA1CA2CA4
SCHEMBL28429512 0.75 SIGMAR1 (0.54) ALDH1A1KMT2ACA1CA2CA4

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 3 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-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 664/4885ALDH1A1 388/4885POLB 3799/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KCNH2 664/4885ALDH1A1 388/4885POLB 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.