SCHEMBL4287625

SCHEMBL4287625

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2cccc(Cl)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
HRH3 Q9Y5N1 7/20 0.49
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FKBP1A P62942 1/20 0.45
ENPP2 Q13822 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL3494366 0.87 TEAD1 (0.50) KDM4EALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL4290686 0.86 ENPP2 (0.43) ALDH1A1ENPP2
SCHEMBL4285970 0.86 KDM4E (0.51) KDM4EALDH1A1TSHRHRH3LMNA
SCHEMBL4281940 0.86 KCNA5 (0.46) ALDH1A1HRH3LMNAHTTKMT2A
SCHEMBL4294643 0.85 KDM4E (0.43) KDM4EALDH1A1HRH3KMT2A
SCHEMBL4289699 0.84 MAOB (0.45) ALDH1A1KMT2A
SCHEMBL4292747 0.84 KDM4E (0.40) KDM4EALDH1A1TSHRHRH3MAPK1
SCHEMBL4285558 0.84 HRH3 (0.45) KDM4EALDH1A1HRH3KMT2A
SCHEMBL4288979 0.83 GPR183 (0.47) KDM4EALDH1A1HRH3LMNASMN1; SMN2
SCHEMBL4286140 0.83 HCRTR1 (0.44) KDM4EALDH1A1KMT2ACYP2D6

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 KDM4E 760/4885ALDH1A1 388/4885TP53 2535/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ALDH1A1 388/4885TP53 2535/4885

“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.