SCHEMBL17306341

SCHEMBL17306341

N#Cc1cc(Br)ccc1OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
IKBKE Q14164 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
SLC6A4 P31645 1/20 0.38
PDE4B Q07343 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL24860958 0.98 XDH (0.47) XDHNPY1RNPY2RMAOAMAOB
SCHEMBL15716135 0.95 XDH (0.44) XDHNPY1RNPY2RMAOAMAOB
SCHEMBL17289661 0.85 TBK1 (0.38) XDHNPY1RNPY2RMAOAMAOB
SCHEMBL1667546 0.85 TBK1 (0.51) IKBKETBK1
SCHEMBL17289929 0.83 TBK1 (0.46) XDHIKBKETBK1
SCHEMBL17289632 0.82 TBK1 (0.42) XDHIKBKETBK1SLC6A4
SCHEMBL17630708 0.82 TBK1 (0.40) XDHNPY1RNPY2RMAOAMAOB
SCHEMBL17289631 0.82 NOS3 (0.36) XDHNPY1RNPY2RMAOAMAOB
SCHEMBL2724566 0.82 KCNJ1 (0.40) NPY1RNPY2RMAOAMAOBSLC6A4
SCHEMBL4426792 0.81 XDH (0.46) XDHMAOAMAOBPDE5APDE1A

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
CN-110078668-B Phenyl imidazole XOR inhibitor, preparation and application 华南理工大学 2023-03-24 CN disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS XDH 3680/4885NPY1R 4782/4885NPY2R 4780/4885

“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.