SCHEMBL4285461

SCHEMBL4285461

CCc1nc2cc(NC[C@@H]3CN(C(=O)O)CCN3)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
RAB9A P51151 10/20 0.38
NPC1 O15118 9/20 0.38
ADRB1 P08588 1/20 0.37
KCNH2 Q12809 1/20 0.37
MCHR2 Q969V1 1/20 0.37
MCHR1 Q99705 1/20 0.37
LCK P06239 1/20 0.35

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
SCHEMBL4285598 0.92 GAA (0.41) GAARAB9ANPC1KCNH2MCHR2
SCHEMBL13705283 0.86 NPC1 (0.44) GAARAB9ANPC1
SCHEMBL8125453 0.83 ADRB1 (0.38) GAARAB9ANPC1ADRB1KCNH2
SCHEMBL4289860 0.80 GAA (0.41) GAARAB9ANPC1
SCHEMBL4287230 0.80 RAB9A (0.42) GAARAB9ANPC1
SCHEMBL4290709 0.77 GAA (0.42) GAARAB9ANPC1KCNH2MCHR2
SCHEMBL4281841 0.75 KMT2A (0.39) RAB9ANPC1KCNH2MCHR1
SCHEMBL4293422 0.72 SMN1; SMN2 (0.43) GAA
Hydrochloric Acid SCHEMBL4289031 0.72 SMN1; SMN2 (0.43) GAA
SCHEMBL3935992 0.70 GRIN2B (0.47) RAB9ANPC1ADRB1LCK

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 GAA 1381/4885RAB9A 1247/4885NPC1 1165/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GAA 1381/4885RAB9A 1247/4885NPC1 1165/4885

“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.