SCHEMBL4287557

SCHEMBL4287557

COC(=O)c1cc(OCC[C@@H]2CN(C(=O)O)CCN2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
KAT6A Q92794 1/20 0.35
CCR3 P51677 1/20 0.35
CPS1 P31327 2/20 0.35
MAOB P27338 2/20 0.34
SCN9A Q15858 4/20 0.34
SCN10A Q9Y5Y9 4/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 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
SCHEMBL4289137 0.92 CPS1 (0.39) CPS1
SCHEMBL4284770 0.82 ALDH1A1 (0.41) ALDH1A1CCR3DRD2KMT2A
SCHEMBL4286284 0.81 ALDH1A1 (0.38) ALDH1A1HPGDTSHRHSD17B10KAT6A
SCHEMBL4292712 0.81 DRD3 (0.46) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL4750156 0.81 DRD3 (0.46) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL4287310 0.80 TTR (0.37) ALDH1A1MEN1KMT2A
SCHEMBL4752778 0.80 RAB9A (0.44) HPGDDRD2MEN1KMT2A
SCHEMBL4281703 0.80 RAB9A (0.44) HPGDDRD2MEN1KMT2A
SCHEMBL4290410 0.80 SCN9A (0.40) SCN9ASCN10A
Hydrochloric Acid SCHEMBL4287144 0.80 HPGD (0.47) ALDH1A1HPGDDRD2KMT2A

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 ALDH1A1 388/4885HPGD 106/4885TSHR 3226/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885HPGD 106/4885TSHR 3226/4885

“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.