SCHEMBL4281165

SCHEMBL4281165

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.43
SLC18A3 Q16572 7/20 0.40
KCNH2 Q12809 3/20 0.39
CYP2C9 P11712 2/20 0.38
ALOX5 P09917 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
CNR1 P21554 1/20 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
SCHEMBL4788332 0.99 HCAR1 (0.44) HCAR1SLC18A3KCNH2CYP2C9ALOX5
SCHEMBL4788338 0.99 HCAR1 (0.44) HCAR1SLC18A3KCNH2CYP2C9ALOX5
SCHEMBL4788333 0.99 HCAR1 (0.44) HCAR1SLC18A3KCNH2CYP2C9ALOX5
SCHEMBL4281946 0.88 TGFBR1 (0.46) HCAR1KCNH2SMN1; SMN2ALDH1A1CNR1
SCHEMBL4287776 0.87 KDM4C (0.40) HCAR1
SCHEMBL4289050 0.87 KDM4C (0.40) HCAR1
SCHEMBL4286036 0.86 CNR1 (0.37) TSHRSMN1; SMN2ALDH1A1CNR1
SCHEMBL4289724 0.84 ALDH1A1 (0.40) HCAR1KCNH2CYP2C9ALOX5CHRM1
SCHEMBL3492724 0.84 CYP3A4 (0.35) TSHR
SCHEMBL4289719 0.84 ALDH1A1 (0.40) HCAR1KCNH2CYP2C9ALOX5CHRM1

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 4 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-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
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 HCAR1 1471/4885SLC18A3 2243/4885KCNH2 664/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCAR1 1471/4885SLC18A3 2243/4885KCNH2 664/4885

“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.