SCHEMBL4281960

SCHEMBL4281960

O=C1OCc2cc(NCC[C@@H]3CN(C(=O)O)CCN3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR3C1 P04150 3/20 0.39
PGR P06401 3/20 0.39
NR3C2 P08235 2/20 0.39
NPC1 O15118 1/20 0.38
HSD17B10 Q99714 1/20 0.37
IMPDH2 P12268 1/20 0.37
MAOA P21397 1/20 0.37
MTOR P42345 2/20 0.37
GAA P10253 2/20 0.37
RECQL P46063 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
SCHEMBL4288539 0.92 MAOA (0.47) MAPTKDM4EALDH1A1MAOAMTOR
SCHEMBL4284653 0.81 PRMT3 (0.44) PRMT3MAPTKDM4EALDH1A1POLB
SCHEMBL4294740 0.80 MAN1B1 (0.43) POLBGAA
SCHEMBL4287898 0.76 SLC6A2 (0.44) MAPTALDH1A1NPC1
SCHEMBL4290607 0.75 ROCK2 (0.45) POLBNPC1
SCHEMBL4284858 0.75 CA1 (0.42) MAPTALDH1A1POLBNPSR1NPC1
SCHEMBL4289874 0.74 F10 (0.37)
SCHEMBL4284056 0.74 HTR7 (0.48) ALDH1A1POLBHSD17B10
SCHEMBL4750110 0.74 HTR7 (0.48) ALDH1A1POLBHSD17B10
SCHEMBL4291132 0.74 MAPT (0.42) MAPTKDM4EGAA

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.