SCHEMBL6318396

SCHEMBL6318396

O=C1Nc2c(cc(F)cc2[N+](=O)[O-])/C1=N/O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
TGM2 P21980 1/20 0.37
TYMS P04818 1/20 0.34
MAPT P10636 3/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
MPI P34949 1/20 0.32
BLM P54132 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
XDH P47989 1/20 0.32
TTR P02766 1/20 0.32

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
SCHEMBL6318400 1.00 HSP90AA1 (0.38) HSP90AA1CDK5CDK5R1TGM2TYMS
SCHEMBL6316919 0.84 MAPT (0.42) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL6316916 0.84 MAPT (0.42) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL6323909 0.83 S100A4 (0.40) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL6323908 0.83 S100A4 (0.40) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL504966 0.80 TGM2 (0.59) TGM2TYMSMAPTTDP1ATM
SCHEMBL6317029 0.76 HSP90AA1 (0.49) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL6317024 0.76 HSP90AA1 (0.49) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL8294945 0.74 HSP90AA1 (0.39) HSP90AA1CDK5CDK5R1MAPTNCOA1
SCHEMBL2281312 0.74 HSP90AA1 (0.39) HSP90AA1CDK5CDK5R1MAPTNCOA1

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 HSP90AA1 3512/4885CDK5 418/4885CDK5R1 458/4885

“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.