SCHEMBL8124283

SCHEMBL8124283

O=C(C[C@@H]1CN(Cc2ccccc2)CCN1)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LTA4H P09960 1/20 0.50
BCHE P06276 4/20 0.49
MAOB P27338 3/20 0.49
FAAH O00519 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
ATM Q13315 1/20 0.48
ACHE P22303 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3626359 0.84 LTA4H (0.56) PKMGAAKMT2ALTA4HKDM4E
SCHEMBL3493009 0.84 LTA4H (0.56) PKMGAAKMT2ALTA4HKDM4E
SCHEMBL25154290 0.84 LTA4H (0.56) PKMGAAKMT2ALTA4HKDM4E
SCHEMBL5242188 0.82 LTA4H (0.54) PKMGAAKMT2ALTA4HACHE
SCHEMBL5456925 0.82 LTA4H (0.54) PKMGAAKMT2ALTA4HACHE
SCHEMBL10674002 0.82 LTA4H (0.54) PKMGAAKMT2AMEN1LTA4H
SCHEMBL4295511 0.82 PKM (0.44) PKMGAAKMT2AMEN1LTA4H
SCHEMBL691646 0.81 LTA4H (0.54) PKMGAALTA4HBCHEMAOB
SCHEMBL691443 0.81 LTA4H (0.54) PKMGAALTA4HBCHEMAOB
Hydrochloric Acid SCHEMBL30412643 0.81 LTA4H (0.53) PKMGAALTA4HBCHEMAOB

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 PKM 847/4885GAA 1381/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PKM 847/4885GAA 1381/4885KMT2A 1049/4885

“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.