SCHEMBL6325520

SCHEMBL6325520

CN1C(=O)/C(=N\O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP4 P49662 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
MAPT P10636 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MEN1 O00255 1/20 0.36
GALR3 O60755 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL6325521 1.00 CASP1 (0.37) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6318568 0.85 CASP1 (0.36) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6318570 0.85 CASP1 (0.36) CASP1CASP3CASP4CASP7CASP9
SCHEMBL9183012 0.83 CASP1 (0.51) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6320050 0.82 MAPT (0.40) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6320047 0.82 MAPT (0.40) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6325003 0.72 MAPT (0.39) CASP3MAPTHSP90AA1CDK5CDK5R1
SCHEMBL6325007 0.72 MAPT (0.39) CASP3MAPTHSP90AA1CDK5CDK5R1
SCHEMBL6319581 0.67 CASP1 (0.39) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6319586 0.67 CASP1 (0.39) CASP1CASP3CASP4CASP7CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 US claimed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US claimed
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 US disclosed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US disclosed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 EP disclosed
US-5198461-A Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-30 US disclosed
EP-0432648-A2 Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1991-06-19 EP 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-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 CASP1 2814/4885CASP3 3446/4885CASP4 4043/4885

“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.