SCHEMBL4285547

SCHEMBL4285547

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2c(F)cccc2F)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
TEAD1 P28347 1/20 0.34
TEAD3 Q99594 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34

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
SCHEMBL4285501 0.90 RAB9A (0.41) KDM4EALDH1A1RAB9AGAAKMT2A
SCHEMBL4282070 0.88 NPC1 (0.48) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL4290686 0.82 ENPP2 (0.43) ALDH1A1TEAD1TEAD3HCRTR1HCRTR2
SCHEMBL3494366 0.82 TEAD1 (0.50) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL4286428 0.81 HCRTR1 (0.47) KDM4EALDH1A1RAB9AGAAMAPT
SCHEMBL4281106 0.81 BTK (0.39) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL4293729 0.79 MAPK1 (0.41) KDM4EALDH1A1MAPK1GAAKMT2A
SCHEMBL4295523 0.79 HCRTR1 (0.36) KDM4EMAPTTEAD1TEAD3HCRTR1
SCHEMBL4290199 0.78 HCRTR1 (0.41) KDM4ENPSR1ALDH1A1RAB9ANPC1
SCHEMBL4284003 0.78 HCRTR1 (0.41) KDM4EALDH1A1RAB9ANPC1GAA

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 KDM4E 760/4885NPSR1 2099/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885NPSR1 2099/4885ALDH1A1 388/4885

“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.