SCHEMBL2264673

SCHEMBL2264673

NS(=O)(=O)c1ccc(-n2cc3cc(F)ccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.51
CA2 P00918 8/20 0.51
CA9 Q16790 6/20 0.51
CA12 O43570 5/20 0.51
PTGS2 P35354 11/20 0.50
CA5A P35218 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
CA4 P22748 1/20 0.46
PTGS1 P23219 7/20 0.44

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
SCHEMBL28539532 0.78 ESR2 (0.46) PTGS2
SCHEMBL11901390 0.78 ESR2 (0.62)
SCHEMBL28967464 0.78 MEN1 (0.49)
SCHEMBL4154669 0.77 ESR2 (0.48) CA1CA2CA9CA12PTGS2
SCHEMBL28553007 0.77 ESR2 (0.66) CA9CA12PTGS2
SCHEMBL2264359 0.77 ESR2 (0.43) PTGS2
SCHEMBL2267615 0.76 PARP1 (0.65) CA1CA2CA9CA12
SCHEMBL3595223 0.75 NPC1 (0.55)
SCHEMBL28539726 0.74 NPC1 (0.52)
SCHEMBL2264530 0.73 ESR2 (0.46)

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-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-18 US disclosed
US-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-11-05 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 (2 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-20090275619-A1 Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 CA1 4814/4885CA2 4623/4885CA9 4211/4885
US-20110201657-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 CA1 4814/4885CA2 4623/4885CA9 4211/4885

“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.