SCHEMBL4287431

SCHEMBL4287431

CCOC(=O)c1ncn(C2CCCCC2(O)CN)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
ELANE P08246 1/20 0.38
AKT1 P31749 3/20 0.38
AKT2 P31751 3/20 0.38
OPRM1 P35372 3/20 0.37
OPRK1 P41145 3/20 0.37
OGFRL1 Q5TC84 3/20 0.37

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
SCHEMBL4295333 0.92 ALDH1A1 (0.42) ALDH1A1MAPTTSHRMEN1GAA
SCHEMBL4288780 0.90 ALDH1A1 (0.40) ALDH1A1MAPTTSHRMEN1GAA
SCHEMBL4292774 0.88 ALDH1A1 (0.41) ALDH1A1MAPTTSHRMEN1GAA
SCHEMBL4285832 0.87 ALDH1A1 (0.45) ALDH1A1MAPTTSHRMEN1GAA
SCHEMBL4291274 0.86 EED (0.42) ALDH1A1MAPTTSHRMEN1GAA
SCHEMBL4281370 0.84 ALDH1A1 (0.43) ALDH1A1MAPTTSHRMEN1GAA
SCHEMBL4289718 0.84 ALDH1A1 (0.43) ALDH1A1MAPTTSHRMEN1GAA
SCHEMBL4284853 0.84 ALDH1A1 (0.43) ALDH1A1MAPTTSHRMEN1GAA
SCHEMBL4295929 0.84 ALDH1A1 (0.36) ALDH1A1MAPTTSHRMEN1GAA
SCHEMBL4290578 0.82 ALDH1A1 (0.40) ALDH1A1MAPTTSHRMEN1GAA

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 ALDH1A1 388/4885MAPT 3142/4885TSHR 3226/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885MAPT 3142/4885TSHR 3226/4885

“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.