SCHEMBL6313563

SCHEMBL6313563

O=Cc1cccc(N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.56
KDM4E B2RXH2 1/20 0.49
CYP2C19 P33261 1/20 0.49
PDK2 Q15119 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
SERPINE1 P05121 1/20 0.43

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
SCHEMBL5799563 0.82 NOTUM (0.58) NOTUMKDM4ECYP2C19PDK2
SCHEMBL2552638 0.81 TRIM24 (0.58) NOTUMKDM4E
SCHEMBL2323342 0.80 ALDH1A1 (0.45) NOTUMKDM4E
SCHEMBL1573274 0.80 NOTUM (0.83) NOTUM
SCHEMBL1222301 0.79 NOTUM (0.79) NOTUMKDM4ECYP2C19
SCHEMBL5799181 0.79 NOTUM (0.59) NOTUMCYP2C19PDK2
SCHEMBL5799166 0.79 NOTUM (0.58) NOTUMKDM4ECYP2C19PDK2
SCHEMBL5800964 0.79 NOTUM (0.83) NOTUMKDM4E
SCHEMBL14507628 0.78 NOTUM (0.57) NOTUMKDM4ECYP2C19PDK2
Hydrochloric Acid SCHEMBL6969582 0.77 NOTUM (0.77) NOTUMKDM4ECYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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 (1 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR NOTUM 3388/4885KDM4E 2371/4885CYP2C19 462/4885

“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.