SCHEMBL4289719

SCHEMBL4289719

COC(=O)c1ncn([C@@H]2CCC[C@H]2O)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KCNH2 Q12809 2/20 0.38
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 2/20 0.37
HCAR1 Q9BXC0 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A3 Q01959 2/20 0.36
HPGD P15428 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
SCHEMBL4289716 1.00 ALDH1A1 (0.40) ALDH1A1MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL4289724 1.00 ALDH1A1 (0.40) ALDH1A1MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL13705060 1.00 ALDH1A1 (0.40) ALDH1A1MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL4296722 0.85 CYP19A1 (0.45) ALDH1A1MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL4282668 0.85 CYP19A1 (0.45) ALDH1A1MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL13705063 0.85 CYP19A1 (0.45) ALDH1A1MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL4282660 0.85 CYP19A1 (0.45) ALDH1A1MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL4282663 0.85 CYP19A1 (0.45) ALDH1A1MAPTCYP2C9CYP3A4CYP2C19
SCHEMBL4287476 0.85 F2R (0.38) KCNH2HCAR1
SCHEMBL4289352 0.84 CYP19A1 (0.44) ALDH1A1MAPTCYP2C9CYP3A4CYP2C19

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 3142/4885CYP2C9 40/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885MAPT 3142/4885CYP2C9 40/4885

“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.