SCHEMBL1086604

SCHEMBL1086604

O=C(Cl)c1cccnc1Oc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
TDP1 Q9NUW8 1/20 0.68
MAPK8 P45983 4/20 0.59
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.57
GAA P10253 3/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PDE10A Q9Y233 1/20 0.49

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
SCHEMBL2924686 0.87 RAB9A (0.76) ALDH1A1TDP1MAPK8RAB9AGAA
SCHEMBL861902 0.86 TDP1 (0.71) ALDH1A1TDP1MAPK8RAB9AKMT2A
SCHEMBL30749495 0.86 RAB9A (0.57) ALDH1A1TDP1MAPK8RAB9AKMT2A
SCHEMBL5213935 0.86 GAA (0.62) ALDH1A1TDP1MAPK8RAB9AKMT2A
SCHEMBL5218853 0.86 ALDH1A1 (0.54) ALDH1A1TDP1MAPK8RAB9AKMT2A
SCHEMBL29719568 0.86 KMT2A (0.60) ALDH1A1TDP1RAB9AKMT2AGAA
SCHEMBL29125555 0.86 KMT2A (0.60) ALDH1A1TDP1RAB9AKMT2AGAA
SCHEMBL29209329 0.86 RAB9A (0.57) ALDH1A1TDP1MAPK8RAB9AKMT2A
SCHEMBL13692388 0.83 TDP1 (0.72) ALDH1A1TDP1MAPK8RAB9AKMT2A
SCHEMBL742272 0.83 RAB9A (0.75) ALDH1A1TDP1MAPK8RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN claimed
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN disclosed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
US-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
EP-1910381-A2 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-04-16 EP disclosed
EP-1828121-A2 N-PYRROLIDIN-3-YL-AMIDE DERIVATIVES AS SEROTONIN AND NORADRENALIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2007-09-05 EP disclosed
EP-1556351-A4 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2007-07-25 EP disclosed
US-6590118-B1 Used in treatment of and/or prevention of diabetes, especially non-insulin dependent diabetes (Type 2 diabetes) NOVO NORDISK A/S (DK) 2003-07-08 US disclosed
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-01-16 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 WO disclosed
WO-2002089745-A2 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-14 WO disclosed
EP-1220832-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2002-07-10 EP disclosed
US-6218396-B1 SELECTIVELY INHIBITS BINDING TO AN ADRENERGIC RECEPTOR ORTH-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
CN-1291188-A Novel substituted pyridylarylpiperazine compounds for the treatment of benign prostatic hyperplasia ORTHO MCNELL PHARMACEUTICAL IN (US) 2001-04-11 CN disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO disclosed
EP-1054868-A1 NOVEL SUBSTITUTED PYRIDINO ARYLPIPERAZINES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Ortho-Mcneil Pharmaceutical, Inc. (US) 2000-11-29 EP disclosed
WO-1999042448-A1 NOVEL SUBSTITUTED PYRIDINO ARYLPIPERAZINES USEFUL IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-08-26 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC ALDH1A1 220/4885TDP1 1144/4885MAPK8 1879/4885
US-20090239928-A1 N-Pyrrolidin-3YL-Amide Derivatives As Serotonin and Noradrenalin Re-Uptake Inhibitors AOC3, AOC2, TPH2 ALDH1A1 730/4885TDP1 3842/4885MAPK8 3150/4885
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 ALDH1A1 140/4885TDP1 2427/4885MAPK8 3786/4885

“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.