SCHEMBL4284610

SCHEMBL4284610

COCCCOc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.44
HRH3 Q9Y5N1 5/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
PPARD Q03181 1/20 0.38
GAA P10253 2/20 0.38
ALOX5 P09917 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR3 P51677 1/20 0.37
PARP1 P09874 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
SCHEMBL4285458 0.95 KDM4E (0.41) RENHRH3KDM4EALDH1A1KMT2A
SCHEMBL13705338 0.86 CXCR4 (0.42) RENKDM4EALDH1A1KMT2AMEN1
SCHEMBL4284770 0.85 ALDH1A1 (0.41) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL3493396 0.85 TEAD1 (0.46) RENKDM4EALDH1A1KMT2AGAA
SCHEMBL4289872 0.85 KDM4E (0.38) RENKDM4EALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4283409 0.84 MAOB (0.44) ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL4293711 0.84 PARP1 (0.45) RENKDM4EALDH1A1KMT2AGAA
Hydrochloric Acid SCHEMBL4293709 0.84 PARP1 (0.45) RENKDM4EALDH1A1KMT2AGAA
SCHEMBL4295458 0.82 ALDH1A1 (0.39) RENKDM4EALDH1A1KMT2AGAA
SCHEMBL4290785 0.82 PARP1 (0.45) RENKDM4EALDH1A1KMT2AGAA

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 REN 1/4885HRH3 1248/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT REN 1/4885HRH3 1248/4885KDM4E 760/4885

“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.