SCHEMBL6317569

SCHEMBL6317569

CCOC(=O)CN1C(=O)/C(=N/OCc2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
PPARG P37231 1/20 0.47
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP4 P49662 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
IDO1 P14902 2/20 0.43
POLB P06746 1/20 0.40

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
SCHEMBL6317571 1.00 ALDH1A1 (0.49) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL6316935 0.86 PPARG (0.43) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL6316929 0.86 PPARG (0.43) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL14876173 0.74 LPAR3 (0.54) LMNAKMT2AMEN1
SCHEMBL522710 0.73 PIN1 (0.62) ALDH1A1LMNAKMT2ARAB9ASMN1; SMN2
SCHEMBL11804829 0.72 LMNA (0.63) ALDH1A1LMNARAB9ASMN1; SMN2MAPT
SCHEMBL13627910 0.71 CASP1 (0.72) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL6317019 0.70 CASP1 (0.47) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL6316214 0.69 ALDH1A1 (0.44) ALDH1A1LMNANPC1KMT2ARAB9A
SCHEMBL9177631 0.69 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AMEN1MAPT

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 10 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
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
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 ALDH1A1 3865/4885LMNA 623/4885NPC1 1313/4885

“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.