SCHEMBL6316121

SCHEMBL6316121

CON=C1C(=O)N(Cc2ccccc2)c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
CASP3 P42574 1/20 0.47
CASP4 P49662 1/20 0.47
CASP7 P55210 1/20 0.47
CASP9 P55211 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
MAOA P21397 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
APOBEC3G Q9HC16 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL6316119 1.00 CASP1 (0.47) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6317019 0.88 CASP1 (0.47) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6316786 0.84 IDO1 (0.35) MAPTALDH1A1KDM4EGLAMEN1
SCHEMBL6316788 0.84 IDO1 (0.35) MAPTALDH1A1KDM4EGLAMEN1
SCHEMBL9175174 0.82 CASP3 (0.65) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6319581 0.78 CASP1 (0.39) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6319586 0.78 CASP1 (0.39) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6316214 0.77 ALDH1A1 (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6316609 0.77 MAPT (0.40) CASP1CASP3CASP4CASP7CASP9
SCHEMBL6316612 0.77 MAPT (0.40) 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 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 CASP1 2814/4885CASP3 3446/4885CASP4 4043/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 CASP1 2586/4885CASP3 3296/4885CASP4 3881/4885

“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.