SCHEMBL5090932

SCHEMBL5090932

O=C(c1ccc(B(O)O)cc1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.72
KLK1 P06870 1/20 0.66
GPR183 P32249 1/20 0.60
OPRM1 P35372 1/20 0.47
HRH1 P35367 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 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
SCHEMBL8175554 0.87 F10 (0.74) F10KLK1OPRM1HRH1HRH4
SCHEMBL27670602 0.87 F10 (0.72) F10KLK1GPR183OPRM1
SCHEMBL5090935 0.84 F10 (0.70) F10KLK1OPRM1
SCHEMBL5196283 0.84 F10 (0.71) F10KLK1
SCHEMBL6801431 0.83 F10 (1.00) F10KLK1
SCHEMBL17938678 0.83 GPR183 (0.82) GPR183HRH1HRH4HRH3
SCHEMBL1302499 0.82 F10 (0.68) F10KLK1
SCHEMBL6807886 0.82 F10 (0.75) F10KLK1
SCHEMBL6734799 0.82 F10 (0.69) F10KLK1OPRM1HRH1HRH4
SCHEMBL6730422 0.81 F10 (0.74) F10KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419979-B2 Derivatives of 6-{4-[4-(1H-indole-2-sulphonyl)-piperazin-1-carbonyl-phenyl]}pyradizin-3-one ASTRAZENECA AB (SE) 2008-09-02 US disclosed
US-20070135441-A1 New derivatives of 6-{4-[4-(1h-indole-2-sulphonyl)-piperazin-1-carbonyl-phenyl]}pyradizin-3-one ASTRAZENECA AB (SE) 2007-06-14 US disclosed
EP-1706120-A1 NEW DERIVATIVES OF 6- 4 4 - 1 H - INDOLE-2-SULPHONYL)-PIPERA ZIN-1-CARBONYL-PHENYL PYRADIZIN-3-ONE AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2005065688-A1 NEW DERIVATIVES OF 6-4{4-[1H-INDOLE-2-SULPHONYL)-PIPERAZIN-1-CARBONYL-PHENYL]}PYRADIZIN-3-ONE ASTRAZENECA AB (SE) 2005-07-21 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 (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-20070135441-A1 New derivatives of 6-{4-[4-(1h-indole-2-sulphonyl)-piperazin-1-carbonyl-phenyl]}pyradizin-3-one HTR7, TRPC7, HRH4 F10 803/4885KLK1 3405/4885GPR183 3315/4885

“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.