SCHEMBL6425871

SCHEMBL6425871

CCn1c(=O)oc2ccc(Cl)cc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.69
KMO O15229 1/20 0.62
NOS3 P29474 6/20 0.62
NOS1 P29475 6/20 0.62
NOS2 P35228 6/20 0.62
TMEM97 Q5BJF2 3/20 0.59
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57

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
SCHEMBL14044191 0.87 LMNA (0.59) IDO1KMONOS3NOS1NOS2
SCHEMBL23964619 0.83 IDO1 (0.69) IDO1KMONOS3NOS1NOS2
SCHEMBL19398562 0.83 IDO1 (0.67) IDO1KMONOS3NOS1NOS2
SCHEMBL19831956 0.82 IDO1 (0.62) IDO1KMONOS3NOS1NOS2
SCHEMBL13367744 0.81 MIF (0.66) ALDH1A1
SCHEMBL14198758 0.81 IDO1 (0.66) IDO1KMONOS3NOS1NOS2
SCHEMBL616373 0.80 SIGMAR1 (0.53) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL8180452 0.80 MIF (0.63) IDO1ALDH1A1
SCHEMBL30336433 0.80 SIGMAR1 (0.53) IDO1NOS3NOS1NOS2ALDH1A1
SCHEMBL13961602 0.80 CD74 (0.64) IDO1

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
WO-2004064835-A1 USE OF ION CHANNEL MODULATING AGENTS FOR TREATING PAIN NEUROSEARCH A/S (DK) 2004-08-05 WO 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-20040029937-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents NEUROSEARCH A/S. 2004-02-12 US claimed
US-20020055526-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents NEUROSEARCH A/S (DK) 2002-05-09 US claimed
EP-1144387-A1 NEW BENZIMIDAZOLONE-, BENZOXAZOLONE-, OR BENZOTHIAZOLONE DERIVATIVES AS ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-17 EP claimed
WO-2000034248-A1 NEW BENZIMIDAZOLONE-, BENZOXAZOLONE-, OR BENZOTHIAZOLONE DERIVATIVES AS ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-15 WO claimed
EP-3433234-B1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9840481-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
WO-2017165256-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 WO disclosed
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
EP-1345618-B1 CHLORZOXAZONE FOR THE TREATMENT OF PSORIASIS SWITCH BIOTECH AG (DE) 2005-03-23 EP disclosed
US-20040248099-A1 Use of intermediate -conductance potassium channels and modulators for diagnosing and treating diseases having disturbed keratinocyte activity SWITCH BIOTECH AKTIENGESELLSCHAFT (DE) 2004-12-09 US disclosed
US-20040029937-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents NEUROSEARCH A/S. 2004-02-12 US 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-6624186-B2 Modulators of SKCa, IKCa and BKCa channels. NEUROSEARCH A/S (DK) 2003-09-23 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-20020055526-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents NEUROSEARCH A/S (DK) 2002-05-09 US disclosed
EP-1144387-A1 NEW BENZIMIDAZOLONE-, BENZOXAZOLONE-, OR BENZOTHIAZOLONE DERIVATIVES AS ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-17 EP disclosed
WO-2000034248-A1 NEW BENZIMIDAZOLONE-, BENZOXAZOLONE-, OR BENZOTHIAZOLONE DERIVATIVES AS ION CHANNEL MODULATING 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-20040029937-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents KCNJ2, KCNJ1, KCNJ11 IDO1 1568/4885KMO 228/4885NOS3 2809/4885
US-20020055526-A1 Benzimidazolone-, benzoxazolone-, or benzothiazolone derivatives as ion channel modulating agents KCNJ2, KCNJ1, KCNJ11 IDO1 1568/4885KMO 228/4885NOS3 2809/4885
US-20170275260-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 IDO1 495/4885KMO 364/4885NOS3 1512/4885

“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.