SCHEMBL4280901

SCHEMBL4280901

COC(=O)c1cncc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
ATM Q13315 1/20 0.37
CASP3 P42574 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP11B2 P19099 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL4286140 0.84 HCRTR1 (0.44) KDM4EALDH1A1KMT2A
SCHEMBL4281655 0.84 KDM4E (0.52) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL4282774 0.81 GRM5 (0.37) GRM5ATMKDM4ESIRT2SIRT1
SCHEMBL4285456 0.80 DRD3 (0.41) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL4284676 0.78 MAPT (0.43) KDM4EALDH1A1HTTKMT2ATDP1
SCHEMBL4286026 0.77 HPGD (0.49) KDM4EALDH1A1KMT2A
SCHEMBL4290602 0.77 HCRTR1 (0.39) KDM4EALDH1A1HTTKMT2A
SCHEMBL4286284 0.77 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1HTTKMT2A
SCHEMBL4284654 0.77 CPS1 (0.44) MEN1KMT2A
SCHEMBL4289699 0.76 MAOB (0.45) MEN1ALDH1A1KMT2A

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 GRM5 2278/4885ATM 2921/4885CASP3 602/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GRM5 2278/4885ATM 2921/4885CASP3 602/4885

“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.