SCHEMBL4284653

SCHEMBL4284653

O=C1OCc2cc(NCC[C@@H]3CN(C(=O)O)CCN3C(=O)O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR3C1 P04150 4/20 0.41
PGR P06401 4/20 0.41
NR3C2 P08235 3/20 0.41
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MAOA P21397 1/20 0.38
IMPDH2 P12268 1/20 0.38
GAA P10253 2/20 0.37
RECQL P46063 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4292160 0.92 MAOA (0.47) PRMT3MAPTKDM4EALDH1A1MAOA
SCHEMBL4281960 0.81 PRMT3 (0.43) PRMT3MAPTKDM4EALDH1A1POLB
SCHEMBL4282201 0.79 MAN1B1 (0.38) MAPTALDH1A1NPSR1NPC1GAA
SCHEMBL4295533 0.75 ATM (0.43) MAPTALDH1A1NPC1TDP1
SCHEMBL4292964 0.74 MAPT (0.45) MAPTKDM4EALDH1A1POLBNPSR1
SCHEMBL4285411 0.74 ROCK2 (0.46) POLB
SCHEMBL4287930 0.73 F10 (0.38) MAPTGAA
SCHEMBL4288539 0.73 MAOA (0.47) MAPTKDM4EALDH1A1MAOAGAA
SCHEMBL4291179 0.73 KDM4E (0.44) MAPTKDM4EALDH1A1POLBNPC1
SCHEMBL4294945 0.73 SMN1; SMN2 (0.44) MAPTKDM4EALDH1A1POLBHSD17B10

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 2 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

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 PRMT3 557/4885MAPT 3142/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PRMT3 557/4885MAPT 3142/4885KDM4E 760/4885

“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.