SCHEMBL4288567

SCHEMBL4288567

CCOC(=O)c1cc(C)n(CC[C@@H]2CN(C(=O)O)CCN2C(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
P2RY12 Q9H244 1/20 0.33
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRK1 P41145 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL4281250 0.83 KDM4E (0.46) KMT2APOLB
SCHEMBL4291155 0.83 SMN1; SMN2 (0.38) FAAHP2RY12CYP1A2HSD17B10MAPT
SCHEMBL4290844 0.81 PIK3CD (0.35) FAAHKMT2AP2RY12CYP1A2HSD17B10
SCHEMBL4286066 0.81 RAB9A (0.35) P2RY12CYP1A2OPRK1MAPTPOLB
SCHEMBL4293435 0.80 KMT2A (0.35) FAAHKMT2AGAA
SCHEMBL4291731 0.80 SMN1; SMN2 (0.38) FAAHP2RY12CYP1A2HSD17B10MAPT
SCHEMBL4283406 0.80 GRN (0.38) KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL4292395 0.79 ALDH1A1 (0.47) KMT2APOLBSMN1; SMN2
SCHEMBL13705138 0.78 PARP1 (0.51) KMT2AOPRK1
SCHEMBL4286285 0.75 L3MBTL1 (0.39) KMT2AP2RY12

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 FAAH 2632/4885KMT2A 1049/4885GAA 1381/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT FAAH 2632/4885KMT2A 1049/4885GAA 1381/4885

“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.