SCHEMBL4287459

SCHEMBL4287459

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HRH3 Q9Y5N1 5/20 0.47
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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) KMT2APOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4281983 0.87 L3MBTL1 (0.48) KMT2AMEN1HRH3KDM4EALDH1A1
SCHEMBL3494366 0.85 TEAD1 (0.50) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL4294542 0.85 KDM4E (0.49) HRH3KDM4EALDH1A1HRH2HRH1
SCHEMBL4281940 0.84 KCNA5 (0.46) KMT2AMEN1HRH3RAB9AALDH1A1
SCHEMBL4286428 0.84 HCRTR1 (0.47) RAB9APOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4295216 0.84 KMT2A (0.49) KMT2AMEN1HRH3RAB9AKDM4E
SCHEMBL4285825 0.83 KCNA5 (0.49) MEN1HRH3ALDH1A1HRH2HRH1
SCHEMBL4281655 0.83 KDM4E (0.52) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL4286463 0.83 GPR119 (0.49) HRH3SMN1; SMN2

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 1254/4885HRH3 1248/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KMT2A 1049/4885MEN1 1254/4885HRH3 1248/4885

“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.