SCHEMBL4285458

SCHEMBL4285458

COCCOc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HRH3 Q9Y5N1 5/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
REN P00797 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CCR3 P51677 1/20 0.37
PARP1 P09874 1/20 0.37
PDGFRB P09619 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
BRD4 O60885 1/20 0.36
CCL2 P13500 1/20 0.36

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
SCHEMBL4284610 0.95 REN (0.44) KDM4EHRH3ALDH1A1KMT2AREN
SCHEMBL4284770 0.86 ALDH1A1 (0.41) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL13705339 0.86 CXCR4 (0.41) KDM4EALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL3493396 0.86 TEAD1 (0.46) KDM4EALDH1A1KMT2ARENGAA
SCHEMBL4289872 0.86 KDM4E (0.38) KDM4EALDH1A1KMT2ARENMEN1
Hydrochloric Acid SCHEMBL4283409 0.85 MAOB (0.44) ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4293711 0.85 PARP1 (0.45) KDM4EALDH1A1KMT2ARENGAA
Hydrochloric Acid SCHEMBL4293709 0.85 PARP1 (0.45) KDM4EALDH1A1KMT2ARENGAA
SCHEMBL4295458 0.83 ALDH1A1 (0.39) KDM4EALDH1A1KMT2ARENGAA
SCHEMBL4292712 0.83 DRD3 (0.46) ALDH1A1KMT2AMEN1DRD3

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 KDM4E 760/4885HRH3 1248/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885HRH3 1248/4885ALDH1A1 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.