SCHEMBL13145152

SCHEMBL13145152

CC(Cl)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAPT P10636 1/20 0.47
CNR1 P21554 1/20 0.47
SLC6A2 P23975 1/20 0.47
ACAT1 P24752 1/20 0.47

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
SCHEMBL1588934 1.00 ADRB2 (0.47) ADRB2ADRB1TSHRLMNAHIF1A
SCHEMBL2865478 0.83 GABRA1 (0.43) ADRB2ADRB1TSHRLMNAHIF1A
SCHEMBL12204154 0.81 ADRB2 (0.48) ADRB2ADRB1TSHRLMNAHIF1A
SCHEMBL84509 0.81 GABRA1 (0.50) ADRB2ADRB1TSHRLMNAHIF1A
SCHEMBL11501928 0.80 CYP1A2 (0.65) ADRB2ADRB1TSHRLMNAHIF1A
SCHEMBL947512 0.78 TSHR (0.50) ADRB2ADRB1TSHRLMNAHIF1A
SCHEMBL11617245 0.78 TSHR (0.50) ADRB2ADRB1TSHRLMNAHIF1A
SCHEMBL30848757 0.78 TSHR (0.50) ADRB2ADRB1TSHRLMNAHIF1A
1,2-Dichlorobenzene SCHEMBL23407542 0.77 TSHR (0.67) ADRB2ADRB1TSHRLMNAHIF1A
SCHEMBL17553340 0.77 ADRB2 (0.46) ADRB2ADRB1TSHRLMNAHIF1A

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
CN-105523944-A Synthetic method of 2-bromo-4-(2-chloro-ethyl)-aniline UNIV CHANGZHOU 2016-04-27 CN claimed
CN-109789146-A chemokine receptor modulators and uses thereof FLX生物公司 2019-05-21 CN disclosed
CN-109180418-A A kind of propylene oxide co-production object resource utilization synthetic pesticide intermediate 2,4 dichloro benzene ethyl ketone method 江苏扬农化工集团有限公司 2019-01-11 CN disclosed
CN-103974950-B Substituted benzimidazole and benzopyrazoles class as CCR (4) antagonist 凯莫森特里克斯股份有限公司 2016-12-21 CN disclosed
US-9440992-B2 5,7-disubstituted thiazolo[4,5-D]pyrimidines as chemokine inhibitors Acturum Life Science AB (SE) 2016-09-13 US disclosed
CN-105523944-A Synthetic method of 2-bromo-4-(2-chloro-ethyl)-aniline UNIV CHANGZHOU 2016-04-27 CN disclosed
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-7947693-B2 2R)-2-[(2-amino-5-{[(1S)-1-(2-fluorophenyl)ethyl]thio}[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]pentan-1-ol; neurodegenerative disorders, demyelinating disease, cardio- and cerebrovascular atherosclerotic disorders, peripheral artery disease, rheumatoid arthritis, pulmonary diseases su COPD, asthma ASTRAZENECA AB (SE) 2011-05-24 US disclosed
US-20110092519-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES AS CHEMOKINE INHIBITORS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
CN-101193897-B Novel 5-substituted 7-amino-[1,3]thiazolo[4,5-d]pyrimidine derivatives ASTRAZENECA AB 2010-12-01 CN disclosed
US-7799952-B2 Stereoselective method for the production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2010-09-21 US disclosed
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2009-06-11 US disclosed
US-7507827-B2 Stereoselective method for the production of Clopidogrel RATIOPHARM GMBH (DE) 2009-03-24 US disclosed
EP-2017277-A1 Thiophene-imidazopyridines 4SC AG (DE) 2009-01-21 EP disclosed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO disclosed
US-20080214578-A1 Novel 5-Substituted 7-Amino-[1,3]Thiazolo[4,5-D]Pyrimidine Derivatives 793 ACTURUM REAL ESTATE AB (SE) 2008-09-04 US disclosed
CN-101193897-A Novel 5-substituted 7-amino-[1,3]thiazolo[4,5-d]pyrimidine derivatives ASTRAZENECA AB (SE) 2008-06-04 CN disclosed
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel RATIOPHARM GMBH (DE) 2007-09-20 US disclosed
CN-1121426-C Process for controlled radical polymerization or copolymerization of (meth) acrylic, vinyl, vinylidene and diene monomers, and (co) polymers obtained ATOCHEM ELF SA (FR) 2003-09-17 CN disclosed
CN-1186079-A Process for controlled radical polymerization or copolymerization of (meth) acrylic, vinyl, vinylidene and diene monomers, and (co) polymers obtained ATOCHEM ELF SA (FR) 1998-07-01 CN 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-20110092519-A1 5,7-DISUBSTITUTED THIAZOLO[4,5-D]PYRIMIDINES AS CHEMOKINE INHIBITORS CX3CR1, CCR2, CXCR3 ADRB2 190/4885ADRB1 101/4885TSHR 577/4885
US-20080214578-A1 Novel 5-Substituted 7-Amino-[1,3]Thiazolo[4,5-D]Pyrimidine Derivatives 793 CX3CR1, CCR2, CXCR3 ADRB2 152/4885ADRB1 64/4885TSHR 481/4885
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol ADH5, ADH1A, ADH1C ADRB2 124/4885ADRB1 69/4885TSHR 1515/4885
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel CYP2C19, ADH1C, TBXA2R ADRB2 82/4885ADRB1 32/4885TSHR 1891/4885

“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.