SCHEMBL19358564

SCHEMBL19358564

O=C(NCC=C(Br)Br)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.54
TGM2 P21980 1/20 0.51
POLB P06746 1/20 0.50
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
PLAU P00749 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL867055 0.82 LMNA (0.61) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL17244018 0.81 LMNA (0.59) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL195242 0.81 TGM2 (0.61) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL3826463 0.81 LMNA (0.59) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL7657748 0.81 LMNA (0.59) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL8197237 0.80 LMNA (0.67) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL8530400 0.79 LMNA (0.58) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL28661503 0.79 SMN1; SMN2 (0.58) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL15216787 0.78 SMN1; SMN2 (0.56) LMNASMN1; SMN2HTTTGM2POLB
SCHEMBL21620361 0.78 LMNA (0.56) LMNASMN1; SMN2HTTTGM2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
US-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
WO-2017160632-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 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 (2 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-20200291015-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE MPO, NOX5, SERPINB1 LMNA 3775/4885SMN1; SMN2 4752/4885HTT 4347/4885
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase MPO, NOX5, SERPINB1 LMNA 3775/4885SMN1; SMN2 4752/4885HTT 4347/4885

“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.