SCHEMBL6323807

SCHEMBL6323807

CON=C1C(=O)Nc2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
AKR1B1 P15121 1/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.38
CTSL P07711 1/20 0.37
ALDH1A1 P00352 6/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
MPI P34949 1/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CAPN9 O14815 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL6323805 1.00 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1CYP3A4TDP1IDO1
SCHEMBL6324638 0.82 SMN1; SMN2 (0.36) SMN1; SMN2CYP3A4TDP1IDO1ALDH1A1
SCHEMBL6324632 0.82 SMN1; SMN2 (0.36) SMN1; SMN2CYP3A4TDP1IDO1ALDH1A1
SCHEMBL6316919 0.82 MAPT (0.42) AKR1B1CYP3A4TDP1CTSLALDH1A1
SCHEMBL6316916 0.82 MAPT (0.42) AKR1B1CYP3A4TDP1CTSLALDH1A1
SCHEMBL6315489 0.78 KMT2A (0.44) SMN1; SMN2CYP3A4TDP1CTSLALDH1A1
SCHEMBL6315492 0.78 KMT2A (0.44) SMN1; SMN2CYP3A4TDP1CTSLALDH1A1
SCHEMBL9016208 0.76 CAPN9 (0.54) AKR1B1CYP3A4TDP1ALDH1A1MAPT
SCHEMBL9659896 0.74 KMT2A (0.44) SMN1; SMN2CYP3A4TDP1CTSLALDH1A1
SCHEMBL9659900 0.74 KMT2A (0.44) SMN1; SMN2CYP3A4TDP1CTSLALDH1A1

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 SMN1; SMN2 175/4885AKR1B1 2561/4885CYP3A4 3830/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 SMN1; SMN2 198/4885AKR1B1 2354/4885CYP3A4 3867/4885

“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.