SCHEMBL4290844

SCHEMBL4290844

CCOC(=O)c1cnn(CC[C@@H]2CN(C(=O)O)CCN2C(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
KMT2A Q03164 1/20 0.33
P2RY12 Q9H244 1/20 0.33
HSD17B10 Q99714 4/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
MAPT P10636 3/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
KDM4E B2RXH2 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL4288567 0.81 FAAH (0.34) KMT2AP2RY12HSD17B10CYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL4281746 0.80 REN (0.33) PIK3CDKMT2AGABRA2GABRB2
SCHEMBL4292395 0.79 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL4286285 0.79 L3MBTL1 (0.39) PIK3CDKMT2AP2RY12L3MBTL1NPC1
SCHEMBL4291155 0.77 SMN1; SMN2 (0.38) P2RY12HSD17B10CYP1A2SMN1; SMN2L3MBTL1
SCHEMBL4286066 0.77 RAB9A (0.35) PIK3CDP2RY12CYP1A2SMN1; SMN2L3MBTL1
SCHEMBL29224222 0.76 LMNA (0.40) KMT2ACYP1A2GABRA2GABRB2FAAH
SCHEMBL4292720 0.76 GAA (0.34) PIK3CDKMT2AL3MBTL1MAPTKDM4E
SCHEMBL4292598 0.75 PDE4B (0.37) PIK3CDKMT2AP2RY12HSD17B10SMN1; SMN2
SCHEMBL4291731 0.74 SMN1; SMN2 (0.38) P2RY12HSD17B10CYP1A2SMN1; SMN2L3MBTL1

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 PIK3CD 1146/4885KMT2A 1049/4885P2RY12 2069/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PIK3CD 1146/4885KMT2A 1049/4885P2RY12 2069/4885

“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.