SCHEMBL4297012

SCHEMBL4297012

Cc1ccccc1O[C@@H](C)OC(=O)N1CCN(C(=O)O[C@H](C)Oc2ccccc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
NOTUM Q6P988 2/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL4752095 0.84 ALDH1A1 (0.48) HPGDKDM4ELMNAALDH1A1GAA
SCHEMBL4752576 0.81 KMT2A (0.43) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL4752657 0.80 SMN1; SMN2 (0.50) MEN1KMT2AHPGDTSHRLMNA
SCHEMBL4751893 0.79 MGLL (0.42) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL4288263 0.79 NPSR1 (0.43) MEN1KMT2AHPGDKDM4ETSHR
SCHEMBL4753584 0.78 ALDH1A1 (0.46) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL4298262 0.78 ALDH1A1 (0.45) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL4750109 0.77 ALDH1A1 (0.40) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL4752523 0.77 ABHD6 (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL4753413 0.76 TDP1 (0.51) MEN1KMT2AHPGDTSHRLMNA

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 MEN1 1254/4885KMT2A 1049/4885HPGD 106/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MEN1 1254/4885KMT2A 1049/4885HPGD 106/4885

“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.