SCHEMBL6324474

SCHEMBL6324474

CN1C(=O)C(=O)c2c1ccc(Cl)c2Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.41
TTR P02766 1/20 0.41
CASP3 P42574 5/20 0.41
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP7 P55210 1/20 0.37
CASP9 P55211 1/20 0.37
CASP6 P55212 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
APAF1 O14727 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL21848246 0.81 TTR (0.39) CES1TTRCASP3CASP1CASP4
SCHEMBL6317683 0.78 ALDH1A1 (0.36) CES1TTRALDH1A1KDM4EHPGD
SCHEMBL6324873 0.78 ALDH1A1 (0.36) CES1TTRALDH1A1KDM4EHPGD
SCHEMBL754994 0.77 CES1 (0.50) CES1TTRCASP3ALDH1A1KDM4E
SCHEMBL6318293 0.75 ALDH1A1 (0.38) TTRCASP3ALDH1A1HPGDCA1
SCHEMBL6318296 0.75 ALDH1A1 (0.38) TTRCASP3ALDH1A1HPGDCA1
SCHEMBL4015718 0.74 ALDH1A1 (0.52) CES1ALDH1A1
SCHEMBL19679859 0.72 CHRM5 (0.42) CES1TTRCASP3ALDH1A1KDM4E
SCHEMBL25327968 0.71 TDP2 (0.47) CES1TTRCASP3CASP1CASP4
SCHEMBL15206754 0.69 TTR (0.50) CES1TTRCASP3CASP1CASP4

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 12 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 disclosed
EP-1135123-B1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH AS (DK) 2004-12-29 EP 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
US-5192792-A Isatine derivatives, and their method of use WARNER-LAMBERT COMPANY (US) 1993-03-09 US disclosed
US-5164404-A HYDRAZONE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 1992-11-17 US disclosed
EP-0503349-A1 Hydrazone derivatives, their preparation and use NEUROSEARCH A/S (DK) 1992-09-16 EP 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 CES1 2434/4885TTR 4103/4885CASP3 3446/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 CES1 2526/4885TTR 3947/4885CASP3 3296/4885

“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.