SCHEMBL526350

SCHEMBL526350

Cc1ccc2c(n1)C(=O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.40
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.35
PRKCI P41743 1/20 0.34
HTT P42858 2/20 0.33
RECQL P46063 1/20 0.33
NSD2 O96028 2/20 0.33
G6PD P11413 2/20 0.33
DNMT1 P26358 2/20 0.33
CCR1 P32246 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL30001849 1.00 S100A4 (0.40) S100A4MAOAMAOBCYP2A6KDM4E
SCHEMBL10286865 0.96 S100A4 (0.40) S100A4MAOAMAOBCYP2A6KDM4E
SCHEMBL527206 0.88 S100A4 (0.42) S100A4HSD17B10KMT2AMEN1CYP2C19
SCHEMBL10286556 0.77 MAOA (0.42) MAOAMAOBCYP2A6KDM4EALDH1A1
SCHEMBL30002194 0.77 MAOA (0.38) MAOAMAOBCYP2A6KDM4EALDH1A1
SCHEMBL23376842 0.77 MAOA (0.38) MAOAMAOBCYP2A6KDM4EALDH1A1
SCHEMBL10271342 0.77 MAOA (0.38) MAOAMAOBCYP2A6KDM4EALDH1A1
SCHEMBL10286555 0.77 KDM4E (0.39) MAOAMAOBCYP2A6KDM4EALDH1A1
SCHEMBL6635128 0.77 MAOA (0.38) MAOAMAOBCYP2A6KDM4EALDH1A1
SCHEMBL10270848 0.77 S100A4 (0.32) S100A4KDM4EALDH1A1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115368411-B Zinc complex and preparation method thereof 北京服装学院 2024-06-11 CN disclosed
CN-117263993-A Iron complex and method for preparing biodegradable polyester by catalysis of iron complex 北京服装学院 2023-12-22 CN disclosed
CN-115368546-B Preparation method of biodegradable polyester 北京服装学院 2023-10-24 CN disclosed
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 US disclosed
CN-115368411-A Zinc complex and preparation method thereof 北京服装学院 2022-11-22 CN disclosed
CN-115368546-A Preparation method of biodegradable polyester 北京服装学院 2022-11-22 CN disclosed
CN-112979650-A Organic compound and organic electroluminescent device containing the same 北京鼎材科技有限公司 2021-06-18 CN disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 WO disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-9403845-B2 Pesticidally active pyridyl- and pyrimidyl- substituted pyrazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2016-08-02 US disclosed
US-7569584-B2 4-(2-methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2b agonist and methods of using the same ALLERGAN, INC. (US) 2009-08-04 US disclosed
US-7569584-B2 4-(2-methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2b agonist and methods of using the same ALLERGAN, INC. (US) 2009-08-04 US disclosed
US-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ALLERGAN, INC. 2008-03-20 US disclosed
US-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ALLERGAN, INC. 2008-03-20 US disclosed
US-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ALLERGAN, INC. 2008-03-20 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
US-7276522-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones, 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. (US) 2007-10-02 US disclosed
WO-2006036404-A1 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYLOALKYLMETHYL) IMIDAZOL-2-ONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOL-2-ONES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2006-04-06 WO disclosed
US-20050075366-A1 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same ALLERGAN, INC. 2005-04-07 US 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 (4 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT S100A4 4105/4885MAOA 3437/4885MAOB 3701/4885
US-20080070945-A1 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME ADRB2, ADRA2C, ADRA2B S100A4 1929/4885MAOA 2211/4885MAOB 960/4885
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 S100A4 4147/4885MAOA 2803/4885MAOB 1691/4885
US-20050075366-A1 4-(2-Methyl-5,6,7,8-tetrahydro-quinolin-7-ylmethyl)-1,3-dihydro-imidazole-2-thione as specific alpha2B agonist and methods of using the same ADRB2, ADRA2C, ADRA2B S100A4 1929/4885MAOA 2211/4885MAOB 960/4885

“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.