SCHEMBL4290973

SCHEMBL4290973

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.37
EED O75530 1/20 0.37
ELANE P08246 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ACE P12821 1/20 0.36
FAAH O00519 4/20 0.36
MGLL Q99685 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
SCHEMBL4296461 0.92 CYP19A1 (0.41) TSHRMEN1KMT2AGAACYP19A1
SCHEMBL13705066 0.92 CYP19A1 (0.41) TSHRMEN1KMT2AGAACYP19A1
SCHEMBL4282224 0.92 CYP19A1 (0.41) TSHRMEN1KMT2AGAACYP19A1
SCHEMBL4285560 0.92 CYP19A1 (0.41) TSHRMEN1KMT2AGAACYP19A1
SCHEMBL4296455 0.92 CYP19A1 (0.41) TSHRMEN1KMT2AGAACYP19A1
SCHEMBL4283612 0.92 CYP19A1 (0.41) TSHRMEN1KMT2AGAACYP19A1
SCHEMBL4296458 0.92 CYP19A1 (0.41) TSHRMEN1KMT2AGAACYP19A1
SCHEMBL4293883 0.89 CNR1 (0.36) TSHRMEN1KMT2AALDH1A1USP2
SCHEMBL4285804 0.87 MEN1 (0.38) TSHRMEN1KMT2AGAACYP19A1
SCHEMBL4292552 0.87 CKS1B (0.41) TSHRMEN1KMT2AGAACYP19A1

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 TSHR 3226/4885MEN1 1254/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TSHR 3226/4885MEN1 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.