SCHEMBL4286284

SCHEMBL4286284

COC(=O)c1cc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CPS1 P31327 4/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KAT6A Q92794 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GYS1 P13807 1/20 0.35
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL4284654 0.92 CPS1 (0.44) CPS1MEN1KMT2AGPR119
SCHEMBL4281655 0.83 KDM4E (0.52) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4286140 0.82 HCRTR1 (0.44) ALDH1A1KMT2AKDM4EMAPTRAB9A
SCHEMBL4287557 0.81 ALDH1A1 (0.37) ALDH1A1CPS1HPGDTSHRHSD17B10
SCHEMBL4286026 0.81 HPGD (0.49) ALDH1A1HPGDKMT2AKDM4EMAPT
SCHEMBL4286428 0.81 HCRTR1 (0.47) ALDH1A1KDM4EMAPTRAB9AHCRTR1
SCHEMBL4290774 0.80 DRD3 (0.49) HPGDMEN1KMT2AHCRTR1HCRTR2
SCHEMBL4290602 0.80 HCRTR1 (0.39) ALDH1A1KMT2AKDM4EMAPTRAB9A
SCHEMBL4290172 0.80 GPR183 (0.46) HPGDMEN1KMT2AKDM4EMAPT
SCHEMBL4285580 0.80 CPS1 (0.46) CPS1KDM4EHCRTR1HCRTR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 388/4885CPS1 2464/4885HPGD 106/4885

“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.