SCHEMBL4293871

SCHEMBL4293871

O=C(O)N1CCN(C(=O)O)[C@H](CCn2c(=O)[nH]c3ccccc32)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
P2RX7 Q99572 6/20 0.49
HTR7 P34969 5/20 0.46
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 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
SCHEMBL4283648 0.80 LMNA (0.43) LMNAPOLBALDH1A1TSHRHTT
Hydrochloric Acid SCHEMBL4293858 0.79 HPGD (0.50) HPGDP2RX7HTR7LMNAPOLB
Hydrochloric Acid SCHEMBL4296671 0.79 HPGD (0.50) HPGDP2RX7HTR7LMNAPOLB
SCHEMBL4291290 0.78 ALDH1A1 (0.51) LMNAPOLBALDH1A1TSHRMAPK1
SCHEMBL13705121 0.78 PARP1 (0.56) HPGDP2RX7ALDH1A1SMN1; SMN2CHRM2
SCHEMBL4286339 0.76 SMN1; SMN2 (0.37) HPGDLMNAALDH1A1SMN1; SMN2
SCHEMBL4281778 0.74 RAB9A (0.52) POLBALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL4290177 0.74 LMNA (0.45) LMNATSHRMAPK1SMN1; SMN2DRD2
SCHEMBL4295055 0.72 LMNA (0.35) HTR7LMNAMAPT
SCHEMBL4288884 0.72 ADRA2A (0.52) HPGDLMNAALDH1A1MAPTTSHR

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 HPGD 106/4885P2RX7 962/4885HTR7 1874/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HPGD 106/4885P2RX7 962/4885HTR7 1874/4885

“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.