SCHEMBL6316919

SCHEMBL6316919

O=C1Nc2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])C1=NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HSP90AA1 P07900 2/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CTSL P07711 1/20 0.42
GPR35 Q9HC97 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 6/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MPI P34949 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6316916 1.00 MAPT (0.42) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL6318396 0.84 HSP90AA1 (0.38) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL6323908 0.84 S100A4 (0.40) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL6323909 0.84 S100A4 (0.40) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL6318400 0.84 HSP90AA1 (0.38) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL6323807 0.82 SMN1; SMN2 (0.39) MAPTCTSLGPR35TDP1CYP3A4
SCHEMBL6323805 0.82 SMN1; SMN2 (0.39) MAPTCTSLGPR35TDP1CYP3A4
SCHEMBL6325007 0.81 MAPT (0.39) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL6325003 0.81 MAPT (0.39) MAPTHSP90AA1CDK5CDK5R1NCOA1
SCHEMBL9016208 0.80 CAPN9 (0.54) MAPTGPR35TDP1CYP3A4ALDH1A1

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 1939/4885HSP90AA1 3512/4885CDK5 418/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 MAPT 1634/4885HSP90AA1 4168/4885CDK5 358/4885

“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.