SCHEMBL4295216

SCHEMBL4295216

CC(C)c1ccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 4/20 0.49
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
FKBP1A P62942 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
PANK3 Q9H999 1/20 0.39
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 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
SCHEMBL4286026 0.87 HPGD (0.49) KMT2AKDM4EALDH1A1L3MBTL1MAPT
SCHEMBL4281983 0.87 L3MBTL1 (0.48) KMT2AMEN1KDM4ETDP1HRH3
SCHEMBL4281940 0.87 KCNA5 (0.46) KMT2AMEN1RAB9AHRH3NPSR1
SCHEMBL3494366 0.85 TEAD1 (0.50) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL4294542 0.85 KDM4E (0.49) KDM4ENPC1HRH3NPSR1ALDH1A1
SCHEMBL4286428 0.84 HCRTR1 (0.47) KDM4ERAB9AFKBP1AALDH1A1MAPT
SCHEMBL4287459 0.84 KMT2A (0.49) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL4285825 0.83 KCNA5 (0.49) MEN1HRH3ALDH1A1MAPT
SCHEMBL4281655 0.83 KDM4E (0.52) KMT2AMEN1KDM4ETDP1NPC1
SCHEMBL4286463 0.83 GPR119 (0.49) HRH3

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 KMT2A 1049/4885MEN1 1254/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885MEN1 1254/4885KDM4E 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.