SCHEMBL5090987

SCHEMBL5090987

O=C1CN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CCN1Cc1ccc(-c2ccc(=O)n(CCN3CCOCC3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.61
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KLK1 P06870 1/20 0.39
F2 P00734 1/20 0.37
MET P08581 2/20 0.37
KCNH2 Q12809 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
SCHEMBL5320853 0.90 F10 (0.65) F10KLK1F2KCNH2
SCHEMBL5324672 0.88 F10 (0.64) F10KLK1F2KCNH2
SCHEMBL5324898 0.88 F10 (0.66) F10KLK1KCNH2
Hydrochloric Acid SCHEMBL5322543 0.87 F10 (0.63) F10KLK1F2KCNH2
SCHEMBL5329273 0.82 F10 (0.57) F10KLK1KCNH2
SCHEMBL5326100 0.81 F10 (0.58) F10KLK1KCNH2
SCHEMBL5328255 0.81 F10 (0.69) F10KLK1F2KCNH2
SCHEMBL5321809 0.80 F10 (0.68) F10KLK1F2KCNH2
SCHEMBL5706940 0.77 F10 (0.54) F10KLK1
SCHEMBL5327935 0.74 F10 (0.71) F10F2KCNH2

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-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 claimed
JP-2007517870-A 2007-07-05 JP claimed
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 claimed
WO-2007008144-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
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 claimed
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 claimed
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
WO-2007008144-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 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 803/4885KDM4E 2216/4885POLB 4694/4885

“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.