SCHEMBL6319581

SCHEMBL6319581

CO/N=C1\C(=O)N(C)c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP4 P49662 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
IDO1 P14902 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TTR P02766 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
GPR35 Q9HC97 1/20 0.34
CHEK1 O14757 1/20 0.34
DAPK3 O43293 1/20 0.34

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
SCHEMBL6319586 1.00 CASP1 (0.39) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6320050 0.84 MAPT (0.40) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6320047 0.84 MAPT (0.40) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6316788 0.84 IDO1 (0.35) MEN1KMT2AIDO1ALDH1A1POLB
SCHEMBL6316786 0.84 IDO1 (0.35) MEN1KMT2AIDO1ALDH1A1POLB
SCHEMBL6318568 0.83 CASP1 (0.36) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6318570 0.83 CASP1 (0.36) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6316609 0.81 MAPT (0.40) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6316612 0.81 MAPT (0.40) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8027844 0.79 CASP1 (0.56) 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 17 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
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US claimed
EP-0432648-B1 Isatine derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-08-02 EP claimed
US-5198461-A Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-30 US claimed
EP-0432648-A2 Isatine derivatives, their preparation and use NEUROSEARCH A/S (DK) 1991-06-19 EP claimed
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 US disclosed
EP-1345618-B1 CHLORZOXAZONE FOR THE TREATMENT OF PSORIASIS SWITCH BIOTECH AG (DE) 2005-03-23 EP disclosed
US-20040248099-A1 Use of intermediate -conductance potassium channels and modulators for diagnosing and treating diseases having disturbed keratinocyte activity SWITCH BIOTECH AKTIENGESELLSCHAFT (DE) 2004-12-09 US disclosed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO disclosed
EP-1345618-A2 USE OF INTERMEDIATE-CONDUCTANCE POTASSIUM CHANNELS AND MODULATORS FOR THE DIAGNOSIS AND TREATMENT OF ILLNESSES HAVING DISTURBED KERATINOCYTE ACTIVITY Switch Biotech Aktiengesellschaft (DE) 2003-09-24 EP disclosed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US disclosed
WO-2002053171-A2 USE OF INTERMEDIATE-CONDUCTANCE POTASSIUM CHANNELS AND MODULATORS FOR THE DIAGNOSIS AND TREATMENT OF ILLNESSES HAVING DISTURBED KERATINOCYTE ACTIVITY SWITCH BIOTECH AKTIENGESELLSCHAFT (DE) 2002-07-11 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
US-5192792-A Isatine derivatives, and their method of use WARNER-LAMBERT COMPANY (US) 1993-03-09 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.