SCHEMBL6315804

SCHEMBL6315804

Cc1c(Cl)ccc2c1NC(=O)C2=NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.63
AGTR1 P30556 1/20 0.40
POLB P06746 1/20 0.36
DAO P14920 2/20 0.34
NSD2 O96028 1/20 0.34
BCHE P06276 1/20 0.34
MAPT P10636 2/20 0.33
TGM2 P21980 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SIRT1 Q96EB6 2/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
NR4A1 P22736 1/20 0.32
DNMT1 P26358 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 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
SCHEMBL11029570 1.00 CES1 (0.63) CES1AGTR1POLBDAONSD2
SCHEMBL19481154 0.83 CES1 (0.61) CES1AGTR1POLBDAONSD2
SCHEMBL29386647 0.83 CES1 (0.61) CES1AGTR1POLBDAONSD2
SCHEMBL30876329 0.83 CES1 (0.61) CES1AGTR1POLBDAONSD2
SCHEMBL2228834 0.83 CES1 (0.61) CES1AGTR1POLBDAONSD2
SCHEMBL16279415 0.83 CES1 (0.61) CES1AGTR1POLBDAONSD2
SCHEMBL6317874 0.83 CES1 (0.41) CES1AGTR1POLBDAONSD2
SCHEMBL6316761 0.81 CES1 (0.39) CES1AGTR1POLBDAOMAPT
SCHEMBL951629 0.78 CES1 (1.00) CES1DAONSD2BCHETGM2
SCHEMBL11024522 0.75 CES1 (0.65) CES1AGTR1POLBDAOMAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190723-A1 VIRAL MODULATORS AND PROCESSES THEREOF KASHANCHI FATAH (US) 2012-07-26 US claimed
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 US claimed
EP-1135123-B1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH AS (DK) 2004-12-29 EP claimed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO 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-20120190009-A1 Viral Modulators and Processes Thereof KASHANCHI FATAH (US) 2012-07-26 US disclosed
US-20120190723-A1 VIRAL MODULATORS AND PROCESSES THEREOF KASHANCHI FATAH (US) 2012-07-26 US disclosed
US-6969729-B2 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S (DK) 2005-11-29 US disclosed
EP-1345618-B1 CHLORZOXAZONE FOR THE TREATMENT OF PSORIASIS SWITCH BIOTECH AG (DE) 2005-03-23 EP disclosed
EP-1135123-B1 USE OF ISATIN DERIVATIVES AS ION CHANNEL ACTIVATING AGENTS NEUROSEARCH AS (DK) 2004-12-29 EP disclosed
EP-1345618-A2 USE OF INTERMEDIATE-CONDUCTANCE POTASSIUM CHANNELS AND MODULATORS FOR THE DIAGNOSIS AND TREATMENT OF ILLNESSES HAVING DISTURBED KERATINOCYTE ACTIVITY Switch Biotech Aktiengesellschaft (DE) 2003-09-24 EP disclosed
US-20030114513-A1 Use of isatin derivatives as ion channel activating agents NEUROSEARCH A/S 2003-06-19 US disclosed
WO-2002053171-A2 USE OF INTERMEDIATE-CONDUCTANCE POTASSIUM CHANNELS AND MODULATORS FOR THE DIAGNOSIS AND TREATMENT OF ILLNESSES HAVING DISTURBED KERATINOCYTE ACTIVITY SWITCH BIOTECH AKTIENGESELLSCHAFT (DE) 2002-07-11 WO 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-20030114513-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 CES1 2434/4885AGTR1 269/4885POLB 1414/4885
US-20120190723-A1 VIRAL MODULATORS AND PROCESSES THEREOF MAVS, HAVCR2, HDLBP CES1 3137/4885AGTR1 4356/4885POLB 3215/4885
US-20020016354-A1 Use of isatin derivatives as ion channel activating agents KCNN3, KCNJ2, KCND2 CES1 2526/4885AGTR1 247/4885POLB 1591/4885

“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.