SCHEMBL17433284

SCHEMBL17433284

O[n+]1ccc(OCC2CCCCC2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
CGAS Q8N884 1/20 0.39
PARP15 Q460N3 3/20 0.38
PARP10 Q53GL7 3/20 0.38
MCHR1 Q99705 2/20 0.37
SCN9A Q15858 1/20 0.37
XDH P47989 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 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
SCHEMBL17433301 0.82 SCN9A (0.39) SCN9A
SCHEMBL16094136 0.82 THRA (0.38) THRATHRBCGASPARP15PARP10
SCHEMBL16119903 0.81 SCN9A (0.38) SCN9A
SCHEMBL19225529 0.75 RIPK1 (0.37) THRATHRBCGASPARP15PARP10
SCHEMBL5777914 0.74 LMNA (0.50) THRATHRBMCHR1
SCHEMBL15777787 0.74 RIPK1 (0.36) PARP15PARP10SCN9A
SCHEMBL8224255 0.73 LMNA (0.51) THRATHRBMCHR1
SCHEMBL17433292 0.71 HPGD (0.34) SCN9A
SCHEMBL21949867 0.70 PKM (0.49) THRATHRBPARP10MCHR1SLC6A4
SCHEMBL16102737 0.70 KDM4C (0.46) THRATHRBMCHR1

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-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 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-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 THRA 406/4885THRB 813/4885CGAS 1057/4885

“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.