SCHEMBL4291196

SCHEMBL4291196

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccc(Br)cc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR1B P28222 1/20 0.39
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 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
SCHEMBL4290199 0.87 HCRTR1 (0.41) KDM4EMAPTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL4284003 0.87 HCRTR1 (0.41) KDM4EMAPTSMN1; SMN2HCRTR1HCRTR2
SCHEMBL4287265 0.86 KDM4E (0.45) KDM4EMEN1KMT2AHTR1BALDH1A1
SCHEMBL4282070 0.85 NPC1 (0.48) KDM4EHCRTR1HCRTR2MEN1KMT2A
SCHEMBL4290115 0.85 ALDH1A1 (0.45) KDM4EPOLBMAPTSMN1; SMN2HCRTR1
SCHEMBL4285580 0.85 CPS1 (0.46) KDM4EHCRTR1HCRTR2LMNA
SCHEMBL4290602 0.83 HCRTR1 (0.39) KDM4EPOLBMAPTSMN1; SMN2HCRTR1
SCHEMBL4281735 0.83 HCRTR1 (0.38) KDM4EHCRTR1HCRTR2KDM1AL3MBTL1
SCHEMBL4284656 0.80 FFAR1 (0.42) KDM4EPOLBSMN1; SMN2HCRTR1HCRTR2
SCHEMBL4294041 0.80 HCRTR1 (0.40) KDM4EPOLBHCRTR1HCRTR2MEN1

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 2 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

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 760/4885POLB 3799/4885PKM 847/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885POLB 3799/4885PKM 847/4885

“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.