SCHEMBL5090935

SCHEMBL5090935

O=C(c1ccc(OBOc2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)cc2)cc1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.70
KLK1 P06870 1/20 0.64
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
OPRM1 P35372 1/20 0.45

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
SCHEMBL27670602 0.87 F10 (0.72) F10KLK1MEN1KMT2AOPRM1
SCHEMBL8175554 0.86 F10 (0.74) F10KLK1MEN1KMT2AOPRM1
SCHEMBL5090932 0.84 F10 (0.72) F10KLK1OPRM1
SCHEMBL5196283 0.82 F10 (0.71) F10KLK1
SCHEMBL6801431 0.82 F10 (1.00) F10KLK1
SCHEMBL6807886 0.81 F10 (0.75) F10KLK1
SCHEMBL1302499 0.81 F10 (0.68) F10KLK1
SCHEMBL6734799 0.80 F10 (0.69) F10KLK1OPRM1
SCHEMBL6730422 0.79 F10 (0.74) F10KLK1
SCHEMBL6424026 0.79 F10 (0.67) 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 3405/4885MEN1 2911/4885

“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.