SCHEMBL17014178

SCHEMBL17014178

C=CCN(CC(=O)c1ccncc1)B(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
PLOD2 O00469 2/20 0.39
PLOD3 O60568 2/20 0.39
PLOD1 Q02809 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
CA1 P00915 1/20 0.39
GAA P10253 1/20 0.39
CA9 Q16790 1/20 0.39
HTT P42858 1/20 0.36
NAPRT Q6XQN6 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MPO P05164 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL15294844 0.87 ALDH1A1 (0.41) SMN1; SMN2PLOD2PLOD3PLOD1CYP1A2
SCHEMBL17014181 0.83 PLOD2 (0.46) PLOD2PLOD3PLOD1ALDH1A1GAA
SCHEMBL17014177 0.76 KDM4E (0.39) SMN1; SMN2ALDH1A1GAANAPRTKDM4E
SCHEMBL17014180 0.76 CTNNB1 (0.42) SMN1; SMN2ALDH1A1GAAHTTNAPRT
SCHEMBL15294846 0.76
SCHEMBL15294845 0.76 ALDH1A1 (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17005196 0.76 ALDH1A1 (0.45) SMN1; SMN2PLOD2PLOD3PLOD1CYP1A2
SCHEMBL15672497 0.71 SMN1; SMN2 (0.38) SMN1; SMN2PLOD2PLOD3PLOD1CYP1A2
SCHEMBL4962554 0.70 SMN1; SMN2 (0.55) SMN1; SMN2PLOD2PLOD3PLOD1CYP1A2
SCHEMBL27883074 0.69 SMN1; SMN2 (0.50) SMN1; SMN2PLOD2PLOD3PLOD1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328124-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2016-05-03 US disclosed
US-20150232483-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2015-08-20 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-20150232483-A1 BACE INHIBITORS BACE1, BACE2, APP SMN1; SMN2 1298/4885PLOD2 4824/4885PLOD3 4426/4885

“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.