SCHEMBL6316801

SCHEMBL6316801

CCCCNC(=O)c1c(-c2ccsc2)noc1NC(=O)CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.47
ADORA2A P29274 1/20 0.47
ALOX15 P16050 2/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 3/20 0.44
KIT P10721 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.41
GSK3B P49841 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
NCOR2 Q9Y618 2/20 0.39

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
SCHEMBL6318603 0.87 L3MBTL1 (0.47) ADORA1ADORA2AALOX15HDAC1HDAC3
SCHEMBL6318504 0.86 GAA (0.42) HDAC1HDAC3GAAHDAC6NPC1
SCHEMBL6316540 0.86 GAA (0.48) HDAC1HDAC3KITFLT1KDR
SCHEMBL6318223 0.85 GAA (0.48) HDAC1HDAC3GAAHDAC6NPC1
SCHEMBL6324270 0.85 ADORA1 (0.52) ADORA1ADORA2AHDAC1KITFLT1
SCHEMBL6322113 0.84 GAA (0.42) HDAC1HDAC3GAAHDAC6NPC1
SCHEMBL6317993 0.84 ADORA1 (0.51) ADORA1ADORA2AHDAC1HDAC3KIT
SCHEMBL6319331 0.83 HDAC3 (0.47) ADORA1ADORA2AHDAC3KITFLT1
SCHEMBL6324057 0.83 L3MBTL1 (0.47) HDAC1HDAC3GAAHDAC6NCOR2
SCHEMBL6315238 0.82 ADORA1 (0.44) ADORA1ADORA2AHDAC1HDAC3KIT

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 16 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1135123-B1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH AS (DK) 2004-12-29 EP claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ADORA1 1592/4885ADORA2A 1101/4885ALOX15 2753/4885
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 ADORA1 3008/4885ADORA2A 3536/4885ALOX15 2885/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 ADORA1 3091/4885ADORA2A 3793/4885ALOX15 2878/4885

“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.