SCHEMBL19295487

SCHEMBL19295487

c1ccc2c(c1)OC1CC1O2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
NISCH Q9Y2I1 2/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL29309863 0.78 CHRNB4 (0.46) ABCG2ITGB2ICAM1ITGALCHRNB4
SCHEMBL10371016 0.76 CHRNB4 (0.39) ABCG2ITGB2ICAM1ITGALCHRNB4
SCHEMBL10371018 0.76 CHRNB4 (0.39) ABCG2ITGB2ICAM1ITGALCHRNB4
SCHEMBL10371015 0.76 CHRNB4 (0.39) ABCG2ITGB2ICAM1ITGALCHRNB4
Hydrochloric Acid SCHEMBL10977838 0.74 CHRNB4 (0.38) ABCG2ITGB2ICAM1ITGALCHRNB4
SCHEMBL20406703 0.73 MAP3K14 (0.37) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL17974163 0.72 ESR1 (0.40) ABCG2ITGB2ICAM1ITGALNISCH
SCHEMBL10975272 0.72 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4NISCH
SCHEMBL9765075 0.72 CHRNB4 (0.39) ABCG2ITGB2ICAM1ITGALCHRNB4
SCHEMBL10975275 0.72 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4NISCH

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-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

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 ABCG2 1747/4885ITGB2 2752/4885ICAM1 1825/4885

“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.