SCHEMBL4288610

SCHEMBL4288610

O=C(O)N1CCN[C@H](Cn2nnc3ccccc32)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.46
MGAM O43451 6/20 0.45
AMY1A P0DUB6 6/20 0.45
SI P14410 6/20 0.45
MGAM2 Q2M2H8 6/20 0.45
RAB9A P51151 5/20 0.45
APAF1 O14727 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC9A1 P19634 2/20 0.41
GRM2 Q14416 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL4287498 0.89 EGLN3 (0.50) GAACYP2C9CYP2C19EGLN3MGAM
SCHEMBL13705095 0.84 GAA (0.42) GAACYP2C9CYP2C19EGLN3MGAM
SCHEMBL4295876 0.79 EGLN3 (0.46) CYP2C9CYP2C19EGLN3APAF1NPC1
SCHEMBL4295875 0.79 EGLN3 (0.46) CYP2C9CYP2C19EGLN3APAF1NPC1
SCHEMBL4295031 0.79 KMO (0.46) RAB9APOLBNPC1SMN1; SMN2HSD17B10
SCHEMBL4294538 0.74 RAB9A (0.49) CYP2C9CYP2C19RAB9APOLBMEN1
SCHEMBL4290072 0.73 EGLN3 (0.50) CYP2C9CYP2C19EGLN3APAF1NPC1
SCHEMBL1177889 0.72 CYP2D6 (0.49) RAB9ANPC1SLC9A1GRM2MAPT
SCHEMBL3495230 0.72 CA1 (0.62) POLBMEN1KMT2AFAAH
SCHEMBL4749948 0.72 CA1 (0.62) POLBMEN1KMT2AFAAH

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 1381/4885CYP2C9 40/4885CYP2C19 19/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GAA 1381/4885CYP2C9 40/4885CYP2C19 19/4885

“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.