SCHEMBL4284858

SCHEMBL4284858

CC(=O)c1ccc(NCC[C@@H]2CN(C(=O)O)CCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA9 Q16790 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ADRB1 P08588 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 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
SCHEMBL4282105 0.89 POLB (0.48) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL4287898 0.87 SLC6A2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1HTT
SCHEMBL4294740 0.87 MAN1B1 (0.43) CA1CA2CA4CA9POLB
SCHEMBL4291132 0.85 MAPT (0.42) SMN1; SMN2RAB9AMAPT
SCHEMBL13705285 0.84 GRIN2B (0.45) CA1CA2CA4CA9SMN1; SMN2
SCHEMBL4284144 0.81 EPHX2 (0.43) POLBATM
SCHEMBL4289874 0.78 F10 (0.37) CA1CA2CA4CA9ADRB1
SCHEMBL4750110 0.78 HTR7 (0.48) SMN1; SMN2POLBRAB9AALDH1A1L3MBTL1
SCHEMBL4284056 0.78 HTR7 (0.48) SMN1; SMN2POLBRAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4284628 0.78 L3MBTL1 (0.46) CA1CA2CA4CA9SMN1; SMN2

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 CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.