SCHEMBL6322718

SCHEMBL6322718

O=C1Nc2ccc(Cl)c(Cl)c2/C1=N/O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.61
GALR3 O60755 2/20 0.40
TGM2 P21980 4/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
LRRK2 Q5S007 3/20 0.33
PDE7A Q13946 1/20 0.33
IDO1 P14902 1/20 0.33
KDR P35968 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL6316168 1.00 CES1 (0.61) CES1GALR3TGM2HTR2AHTR2C
SCHEMBL7048273 0.90 CES1 (0.67) CES1GALR3TGM2HTR2AHTR2C
SCHEMBL7048275 0.90 CES1 (0.67) CES1GALR3TGM2HTR2AHTR2C
SCHEMBL5752424 0.83 CES1 (0.61) CES1GALR3TGM2HTR2AHTR2C
SCHEMBL734955 0.76 CES1 (1.00) CES1TGM2PDE7AMAPT
SCHEMBL7054760 0.74 CES1 (0.46) CES1GALR3TGM2
SCHEMBL7054756 0.74 CES1 (0.46) CES1GALR3TGM2
SCHEMBL30876329 0.72 CES1 (0.61) CES1GALR3TGM2IDO1KDR
SCHEMBL29386647 0.72 CES1 (0.61) CES1GALR3TGM2IDO1KDR
SCHEMBL2228834 0.72 CES1 (0.61) CES1GALR3TGM2IDO1KDR

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 CES1 2434/4885GALR3 436/4885TGM2 4165/4885

“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.