SCHEMBL6320050

SCHEMBL6320050

CN1C(=O)C(=NO)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP4 P49662 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GPR35 Q9HC97 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TTR P02766 2/20 0.38
HKDC1 Q2TB90 1/20 0.38

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
SCHEMBL6320047 1.00 MAPT (0.40) MAPTCASP1CASP3CASP4CASP7
SCHEMBL6319586 0.84 CASP1 (0.39) MAPTCASP1CASP3CASP4CASP7
SCHEMBL6319581 0.84 CASP1 (0.39) MAPTCASP1CASP3CASP4CASP7
SCHEMBL6325521 0.82 CASP1 (0.37) MAPTCASP1CASP3CASP4CASP7
SCHEMBL6325520 0.82 CASP1 (0.37) MAPTCASP1CASP3CASP4CASP7
SCHEMBL8027844 0.81 CASP1 (0.56) MAPTCASP1CASP3CASP4CASP7
SCHEMBL9661674 0.77 CYP1A2 (0.47) MAPTCASP1CASP3CASP4CASP7
SCHEMBL6322891 0.75 PPARG (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6322889 0.75 PPARG (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6316612 0.75 MAPT (0.40) MAPTCASP1CASP3CASP4CASP7

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 14 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
JP-2002531498-A 2002-09-24 JP claimed
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2002-02-07 US claimed
EP-1135123-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2001-09-26 EP claimed
WO-2000033834-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 WO 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
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2002-02-07 US disclosed
EP-1135123-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2001-09-26 EP disclosed
WO-2000033834-A1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 WO 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 (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-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 MAPT 1939/4885CASP1 2814/4885CASP3 3446/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 MAPT 1634/4885CASP1 2586/4885CASP3 3296/4885

“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.