SCHEMBL6324632

SCHEMBL6324632

CO/N=C1\C(=O)Nc2c1cc([N+](=O)[O-])cc2C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PDE7A Q13946 1/20 0.35
CYP3A4 P08684 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.34
POLB P06746 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
MPI P34949 1/20 0.33
BLM P54132 1/20 0.33
CES1 P23141 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 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
SCHEMBL6324638 1.00 SMN1; SMN2 (0.36) SMN1; SMN2IDO1ALDH1A1PDE7ACYP3A4
SCHEMBL6325003 0.84 MAPT (0.39) SMN1; SMN2ALDH1A1PDE7ACYP3A4TDP1
SCHEMBL6325007 0.84 MAPT (0.39) SMN1; SMN2ALDH1A1PDE7ACYP3A4TDP1
SCHEMBL6323807 0.82 SMN1; SMN2 (0.39) SMN1; SMN2IDO1ALDH1A1CYP3A4TDP1
SCHEMBL6323805 0.82 SMN1; SMN2 (0.39) SMN1; SMN2IDO1ALDH1A1CYP3A4TDP1
SCHEMBL6318568 0.75 CASP1 (0.36) SMN1; SMN2IDO1ALDH1A1KIF11POLB
SCHEMBL6318570 0.75 CASP1 (0.36) SMN1; SMN2IDO1ALDH1A1KIF11POLB
SCHEMBL695322 0.68 MEN1 (0.50) SMN1; SMN2ALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL6316916 0.64 MAPT (0.42) ALDH1A1CYP3A4TDP1POLBCA12
SCHEMBL6316919 0.64 MAPT (0.42) ALDH1A1CYP3A4TDP1POLBCA12

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 SMN1; SMN2 175/4885IDO1 518/4885ALDH1A1 3865/4885

“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.