SCHEMBL6317939

SCHEMBL6317939

CCOC(=O)CN1C(=O)/C(=N/O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
PIN1 Q13526 1/20 0.52
PIN4 Q9Y237 1/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
AGTR1 P30556 1/20 0.49
KMT2A Q03164 3/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 2/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL6317943 1.00 ALDH1A1 (0.54) ALDH1A1PIN1PIN4MAPTHTT
SCHEMBL4987320 0.83 ALDH1A1 (0.71) ALDH1A1PIN1PIN4MAPTHTT
SCHEMBL6316299 0.83 ALDH1A1 (0.56) ALDH1A1PIN1PIN4MAPTHTT
SCHEMBL6316296 0.83 ALDH1A1 (0.56) ALDH1A1PIN1PIN4MAPTHTT
SCHEMBL7564533 0.80 CA12 (0.56) ALDH1A1MAPTHTTHSD17B10NPSR1
SCHEMBL7564529 0.80 CA12 (0.56) ALDH1A1MAPTHTTHSD17B10NPSR1
SCHEMBL11453331 0.78 ALDH1A1 (0.77) ALDH1A1PIN1PIN4MAPTHTT
SCHEMBL7589906 0.77 ALDH1A1 (0.53) ALDH1A1MAPTHTTNPSR1KMT2A
SCHEMBL9301105 0.77 ALDH1A1 (0.53) ALDH1A1MAPTHTTNPSR1KMT2A
SCHEMBL9130122 0.77 GSK3A (0.53) ALDH1A1PIN1PIN4MAPTHTT

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 ALDH1A1 3865/4885PIN1 1199/4885PIN4 1256/4885

“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.