SCHEMBL4285220

SCHEMBL4285220

O=C(O)N1CCN[C@H](CCOc2ccnc3ccsc23)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.35
MET P08581 8/20 0.35
KDR P35968 2/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
REN P00797 2/20 0.33
PARP1 P09874 1/20 0.32
SCN9A Q15858 2/20 0.31
LCK P06239 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
HDAC2 Q92769 1/20 0.30

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
SCHEMBL4281139 0.81 MET (0.36) USP7METKDRUTS2R
SCHEMBL4286189 0.77 KMT2A (0.47) CA1CA2CA4CA9
SCHEMBL4284051 0.77 CA1 (0.34) CA1CA2CA4CA9REN
SCHEMBL4294380 0.74 S1PR4 (0.38) CA1CA2CA4CA9REN
SCHEMBL3493396 0.73 TEAD1 (0.46) CA1CA2CA4CA9REN
SCHEMBL4290889 0.73 KDM4E (0.43) CA1CA2CA4CA9REN
Hydrochloric Acid SCHEMBL4285513 0.72 MEN1 (0.43)
Hydrochloric Acid SCHEMBL4749978 0.72 MEN1 (0.43)
Hydrochloric Acid SCHEMBL4289621 0.72 LMNA (0.48)
Hydrochloric Acid SCHEMBL4290963 0.72 KDM4E (0.43) REN

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 USP7 2123/4885MET 408/4885KDR 1092/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP7 2123/4885MET 408/4885KDR 1092/4885

“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.