SCHEMBL4282668

SCHEMBL4282668

CCOC(=O)c1ncn(C2CCCCC2O)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ELANE P08246 1/20 0.43
MAPT P10636 3/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA1 P14867 2/20 0.41
GABRA3 P34903 2/20 0.41

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
SCHEMBL4282663 1.00 CYP19A1 (0.45) CYP19A1MEN1KMT2AGAATSHR
SCHEMBL13705063 1.00 CYP19A1 (0.45) CYP19A1MEN1KMT2AGAATSHR
SCHEMBL4296722 1.00 CYP19A1 (0.45) CYP19A1MEN1KMT2AGAATSHR
SCHEMBL4282660 1.00 CYP19A1 (0.45) CYP19A1MEN1KMT2AGAATSHR
SCHEMBL4289352 0.99 CYP19A1 (0.44) CYP19A1MEN1KMT2AGAATSHR
SCHEMBL4289350 0.99 CYP19A1 (0.44) CYP19A1MEN1KMT2AGAATSHR
SCHEMBL13705064 0.99 CYP19A1 (0.44) CYP19A1MEN1KMT2AGAATSHR
SCHEMBL4289354 0.99 CYP19A1 (0.44) CYP19A1MEN1KMT2AGAATSHR
SCHEMBL4284854 0.89 GABRG2 (0.46) MEN1KMT2ATSHRALDH1A1CYP2C19
SCHEMBL8113044 0.89 CYP19A1 (0.45) CYP19A1MEN1KMT2AGAATSHR

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-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
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 CYP19A1 705/4885MEN1 1254/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CYP19A1 705/4885MEN1 1254/4885KMT2A 1049/4885

“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.