SCHEMBL16697740

SCHEMBL16697740

CCOC(=O)Cc1ccc(-c2ccc(-n3nncc3NC(=O)O[C@H](C)c3ccccc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.65
LPAR3 Q9UBY5 6/20 0.51
HRH1 P35367 1/20 0.47
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLK6 Q92876 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL16697742 1.00 LPAR1 (0.65) LPAR1LPAR3HRH1GAASMN1; SMN2
SCHEMBL16697367 0.91 LPAR1 (0.69) LPAR1LPAR3HRH1GAASMN1; SMN2
SCHEMBL16697368 0.91 LPAR1 (0.69) LPAR1LPAR3HRH1GAASMN1; SMN2
SCHEMBL16697458 0.85 LPAR1 (0.66) LPAR1LPAR3HRH1GAASMN1; SMN2
SCHEMBL16697461 0.85 LPAR1 (0.66) LPAR1LPAR3HRH1GAASMN1; SMN2
SCHEMBL16698307 0.83 LPAR1 (0.68) LPAR1LPAR3HRH1GAASMN1; SMN2
SCHEMBL16698308 0.83 LPAR1 (0.68) LPAR1LPAR3HRH1GAASMN1; SMN2
SCHEMBL16707816 0.83 LPAR1 (0.59) LPAR1LPAR3HRH1GAASMN1; SMN2
SCHEMBL14712068 0.81 LPAR1 (0.69) LPAR1LPAR3HRH1ALDH1A1
SCHEMBL14790206 0.80 LPAR1 (0.71) LPAR1LPAR3HRH1

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-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-05-14 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-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885HRH1 819/4885

“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.