SCHEMBL11545776

SCHEMBL11545776

BrCCCC1=CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
SIGMAR1 Q99720 1/20 0.38
HTR7 P34969 1/20 0.34
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL16340495 0.95 HTR6 (0.46) HTR6SIGMAR1HTR7
SCHEMBL11625947 0.93 HTR6 (0.45) HTR6SIGMAR1HTR7
SCHEMBL1822774 0.89 HTR6 (0.50) HTR6SIGMAR1HTR7TDP1
SCHEMBL3874874 0.88 HTR6 (0.53) HTR6SIGMAR1HTR7
SCHEMBL3868123 0.88 HTR6 (0.53) HTR6SIGMAR1HTR7
SCHEMBL31121639 0.84 HTR6 (0.56) HTR6SIGMAR1HTR7
SCHEMBL2338975 0.84 HTR6 (0.56) HTR6SIGMAR1HTR7
SCHEMBL14290594 0.82 SIGMAR1 (0.55) SIGMAR1
SCHEMBL16340383 0.81 HTR6 (0.47) HTR6SIGMAR1HTR7
SCHEMBL20430497 0.81 HTR6 (0.47) HTR6SIGMAR1HTR7

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 9 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
US-4172945-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-10-30 US disclosed
US-4138497-A Indanpentol derivatives for treating hypertension E. R. SQUIBB & SONS, INC. (US) 1979-02-06 US disclosed
US-4127578-A Diene intermediates for indantetrols E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4092318-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1978-05-30 US disclosed
US-4053596-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed
US-4044040-A HYPERTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-08-23 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 (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 HTR6 4423/4885SIGMAR1 2852/4885HTR7 4188/4885
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase MPO, NOX5, SERPINB1 HTR6 4423/4885SIGMAR1 2852/4885HTR7 4188/4885

“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.