SCHEMBL4292552

SCHEMBL4292552

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL4283612 0.92 CYP19A1 (0.41) KMT2ATSHRMEN1GAACYP19A1
SCHEMBL4296461 0.92 CYP19A1 (0.41) KMT2ATSHRMEN1GAACYP19A1
SCHEMBL4282224 0.92 CYP19A1 (0.41) KMT2ATSHRMEN1GAACYP19A1
SCHEMBL4296455 0.92 CYP19A1 (0.41) KMT2ATSHRMEN1GAACYP19A1
SCHEMBL4285560 0.92 CYP19A1 (0.41) KMT2ATSHRMEN1GAACYP19A1
SCHEMBL4296458 0.92 CYP19A1 (0.41) KMT2ATSHRMEN1GAACYP19A1
SCHEMBL13705066 0.92 CYP19A1 (0.41) KMT2ATSHRMEN1GAACYP19A1
SCHEMBL4285804 0.87 MEN1 (0.38) KMT2ATSHRMEN1GAACYP19A1
SCHEMBL4289748 0.87 EPHX1 (0.44) TSHRGAACYP19A1ALDH1A1EED
SCHEMBL4290973 0.87 TSHR (0.38) KMT2AL3MBTL1TSHRMEN1GAA

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 5 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
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 CKS1B 2852/4885SKP1 833/4885SKP2 1776/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CKS1B 2852/4885SKP1 833/4885SKP2 1776/4885

“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.