SCHEMBL4281983

SCHEMBL4281983

Cc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
KCNA5 P22460 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TEAD1 P28347 1/20 0.39

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
SCHEMBL4286026 0.90 HPGD (0.49) L3MBTL1KCNA5MAPTGAAALDH1A1
SCHEMBL3494366 0.88 TEAD1 (0.50) KCNA5MAPTGAAALDH1A1KMT2A
SCHEMBL4294542 0.88 KDM4E (0.49) L3MBTL1MAPTGAAALDH1A1KDM4E
SCHEMBL4286428 0.88 HCRTR1 (0.47) KCNA5MAPTGAAALDH1A1SMN1; SMN2
SCHEMBL4281940 0.88 KCNA5 (0.46) L3MBTL1KCNA5ALDH1A1KMT2AMEN1
SCHEMBL4290172 0.87 GPR183 (0.46) MAPTGAAKMT2ASMN1; SMN2KDM4E
SCHEMBL4287459 0.87 KMT2A (0.49) GAACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4295216 0.87 KMT2A (0.49) L3MBTL1MAPTALDH1A1KMT2AKDM4E
SCHEMBL4285825 0.86 KCNA5 (0.49) KCNA5MAPTALDH1A1MEN1HRH3
SCHEMBL4286463 0.86 GPR119 (0.49) SMN1; SMN2PKMHRH3

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 L3MBTL1 3597/4885KCNA5 867/4885MAPT 3142/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT L3MBTL1 3597/4885KCNA5 867/4885MAPT 3142/4885

“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.