SCHEMBL6317014

SCHEMBL6317014

CON=C1C(=O)N(C)c2c1cc([N+](=O)[O-])c(OC)c2[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCL1 Q07820 1/20 0.34
RAB9A P51151 1/20 0.33
TPMT P51580 1/20 0.33
HTR7 P34969 1/20 0.33
SOST Q9BQB4 1/20 0.32
PKM P14618 2/20 0.32
LMNA P02545 2/20 0.32
GRIN2D O15399 3/20 0.32
GRIN3B O60391 3/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
GRIN2B Q13224 3/20 0.32
GRIN2C Q14957 3/20 0.32
GRIN3A Q8TCU5 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL6317012 1.00 HTT (0.38) HTTALDH1A1TSHRTDP1MCL1
SCHEMBL6319586 0.79 CASP1 (0.39) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL6319581 0.79 CASP1 (0.39) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL6324060 0.78 RAB9A (0.38) HTTALDH1A1TSHRTDP1RAB9A
SCHEMBL6324054 0.78 RAB9A (0.38) HTTALDH1A1TSHRTDP1RAB9A
SCHEMBL6322389 0.77 GRIA1 (0.35) HTTALDH1A1RAB9ALMNAMEN1
SCHEMBL6318568 0.70 CASP1 (0.36) HTTALDH1A1MEN1KMT2A
SCHEMBL6318570 0.70 CASP1 (0.36) HTTALDH1A1MEN1KMT2A
SCHEMBL8146904 0.68 ALDH1A1 (0.54) HTTALDH1A1TSHRTDP1MCL1
SCHEMBL6315053 0.67 CASP1 (0.63) HTTALDH1A1MCL1RAB9ALMNA

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 13 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
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2002-02-07 US 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
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
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 HTT 1802/4885ALDH1A1 3865/4885TSHR 3700/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 HTT 1862/4885ALDH1A1 4102/4885TSHR 3749/4885

“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.