SCHEMBL17595339

SCHEMBL17595339

CC(C)c1c(CO)nnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
NOTUM Q6P988 2/20 0.45
SLC5A1 P13866 2/20 0.42
SLC5A2 P31639 2/20 0.42
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 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
SCHEMBL22683783 0.83 P2RX7 (0.48) ALDH1A1NOTUMHTTNPSR1
SCHEMBL19295478 0.78 NOTUM (0.71) ALDH1A1NOTUMHTTCYP1A2TP53
SCHEMBL17595761 0.74 HTT (0.64) ALDH1A1SLC5A1SLC5A2HTTTP53
SCHEMBL17324762 0.73 HTT (0.54) ALDH1A1SLC5A1SLC5A2HTTTP53
SCHEMBL17321492 0.72 HTT (0.53) ALDH1A1SLC5A1SLC5A2HTTNPSR1
SCHEMBL24570000 0.71 ALDH1A1 (0.61) ALDH1A1NOTUMHTTCYP1A2L3MBTL1
SCHEMBL23401914 0.67 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAA
SCHEMBL23401328 0.66 CACNA1H (0.41) ALDH1A1CYP1A2L3MBTL1GAA
SCHEMBL13325671 0.66 ALDH1A1 (0.50) ALDH1A1NOTUMHTTNPSR1TP53
SCHEMBL13221532 0.66 ALDH1A1 (0.58) ALDH1A1CYP1A2GAACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 WO 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 ALDH1A1 54/4885NOTUM 1748/4885SLC5A1 2628/4885

“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.