SCHEMBL4288946

SCHEMBL4288946

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2cccc(Cl)c2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.43
HTR1D P28221 4/20 0.41
HTR1B P28222 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR7 P34969 2/20 0.38
MAPT P10636 2/20 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
SCHEMBL4283481 0.91 MEN1 (0.47) KDM4EALDH1A1KMT2AGAAL3MBTL1
SCHEMBL4282070 0.82 NPC1 (0.48) KDM4EALDH1A1KMT2AGAAL3MBTL1
SCHEMBL4287941 0.81 KDM4E (0.47) KDM4EALDH1A1KMT2AGAAL3MBTL1
SCHEMBL4297009 0.81 KDM4E (0.47) KDM4EALDH1A1KMT2ACYP2D6CYP2C19
SCHEMBL4287638 0.81 LMNA (0.50) KDM4EALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL4285550 0.81 MEN1 (0.40) KDM4EALDH1A1KMT2ATDP1MEN1
SCHEMBL4293729 0.81 MAPK1 (0.41) KDM4EALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL4281106 0.80 BTK (0.39) KDM4EALDH1A1GAAMRGPRX4TDP1
SCHEMBL4287418 0.80 KDM4E (0.47) KDM4EALDH1A1KMT2AGAAL3MBTL1
SCHEMBL4287625 0.80 KDM4E (0.50) KDM4EALDH1A1KMT2ASMN1; SMN2TP53

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 760/4885ALDH1A1 388/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ALDH1A1 388/4885KMT2A 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.