SCHEMBL6322889

SCHEMBL6322889

CCOC(=O)CN1C(=O)/C(=N/O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
ALDH1A1 P00352 7/20 0.45
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 4/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.41
PIN1 Q13526 1/20 0.41
PIN4 Q9Y237 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 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
SCHEMBL6322891 1.00 PPARG (0.46) PPARGALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6316214 0.90 ALDH1A1 (0.44) PPARGALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL9174935 0.87 ALDH1A1 (0.56) PPARGALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6316935 0.83 PPARG (0.43) PPARGALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6316929 0.83 PPARG (0.43) PPARGALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6320050 0.75 MAPT (0.40) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL6320047 0.75 MAPT (0.40) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4100436 0.73 FTO (0.60) PPARGALDH1A1MAPTKMT2AMEN1
SCHEMBL6316786 0.73 IDO1 (0.35) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL6316788 0.73 IDO1 (0.35) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA

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 PPARG 3974/4885ALDH1A1 3865/4885MAPT 1939/4885

“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.