SCHEMBL4286339

SCHEMBL4286339

O=C(O)N1CCN(C(=O)O)[C@H](CCn2[nH]c(=O)c3ccccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PARP1 P09874 13/20 0.36
PARP2 Q9UGN5 11/20 0.36
USP2 O75604 1/20 0.35

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
Hydrochloric Acid SCHEMBL4291251 0.79 REN (0.40) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL4751926 0.79 REN (0.40) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL4286065 0.77 USP7 (0.36)
SCHEMBL4293871 0.76 HPGD (0.51) SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL4283648 0.75 LMNA (0.43) SMN1; SMN2ALDH1A1LMNA
SCHEMBL4290177 0.74 LMNA (0.45) SMN1; SMN2KDM4ELMNA
SCHEMBL4291290 0.73 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNAUSP2
SCHEMBL4552154 0.73 STAT3 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL4281619 0.73 STAT3 (0.51) SMN1; SMN2ALDH1A1
SCHEMBL4285897 0.72 KMO (0.51) SMN1; SMN2ALDH1A1

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 SMN1; SMN2 4811/4885KDM4E 760/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SMN1; SMN2 4811/4885KDM4E 760/4885ALDH1A1 388/4885

“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.