SCHEMBL6289375

SCHEMBL6289375

COc1ccc(C(CCl)C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
PARP10 Q53GL7 2/20 0.47
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 1/20 0.45
EPHX1 P07099 1/20 0.44
AOC3 Q16853 2/20 0.44
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
TNF P01375 1/20 0.43
CNR2 P34972 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6944962 0.86 L3MBTL1 (0.48) L3MBTL1ALDH1A1TSHRMAPK1TDP1
SCHEMBL29016707 0.84 CA1 (0.48) CA1CA2PARP10PARP1PARP2
SCHEMBL28140713 0.84 AKR1C3 (0.54) CA1CA2PARP10PARP1PARP2
SCHEMBL4459742 0.83 TNF (0.52) CA1CA2PARP10PARP1PARP2
SCHEMBL28014055 0.83 CA1 (0.47) CA1CA2PARP10PARP1PARP2
SCHEMBL21959089 0.81 EPHX1 (0.57) CA1CA2PARP10PARP1PARP2
SCHEMBL11080163 0.80 ALOX5 (0.47) CA1CA2PARP10PARP1PARP2
SCHEMBL27495544 0.79 MMP13 (0.53) CA1CA2PARP10PARP1PARP2
SCHEMBL30610835 0.78 ALOX5 (0.44) CA1CA2PARP10PARP1PARP2
SCHEMBL2405258 0.78 CA1 (0.42) CA1CA2PARP10PARP1PARP2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034228-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)-3-chloropropionamide MENDELOVICI MARIOARA (IL) 2004-02-19 US claimed
US-6660773-B2 Reacting anisidine with 3-chloropropionamide to form N-(4-methoxy phenyl)-3-chloropropionamide; intramolecular Friedel-Crafts cyclization with a Lewis acid; decomposition of salt; demethylation TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-12-09 US claimed
US-20030176703-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)-3-chloropropionamide MENDELOVICI MARIOARA (IL) 2003-09-18 US claimed
US-20020137936-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)3-chloropropionamide MENDELOVICI MARIOARA (IL) 2002-09-26 US claimed
US-20020032333-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)-3-chloropropionamide TEVA PHARMACEUTICAL USA, INC. 2002-03-14 US claimed
WO-2001070697-A1 PROCESSES FOR PREPARING 6-HYDROXY-3,4-DIHYDROQUINOLINONE, CILOSTAZOL AND N-(4-METHOXYPHENYL)-3-CHLOROPROPIONAMIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2001-09-27 WO claimed
US-6967209-B2 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)-3-chloropropionamide TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-11-22 US disclosed
US-6740758-B2 REACTING P-ANISIDINE WITH 3-CHLOROPROPIONYL CHLORIDE IN PRESENCE OF SODIUM BICARBONATE AND TOLUENE AND CYCLIZING TEVA PHARMACEUTICAL INDUSTRIES (IL) 2004-05-25 US disclosed
US-6660773-B2 Reacting anisidine with 3-chloropropionamide to form N-(4-methoxy phenyl)-3-chloropropionamide; intramolecular Friedel-Crafts cyclization with a Lewis acid; decomposition of salt; demethylation TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-12-09 US disclosed
US-20030176703-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)-3-chloropropionamide MENDELOVICI MARIOARA (IL) 2003-09-18 US disclosed
US-6525201-B2 Amidation of p-anisidine with 3-chloropropionyl chloride; cyclization and demtylation of n-(4-methoxyphenyl)-3-chloropropionamide; optimal base/solvent combinations TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-02-25 US disclosed
US-20020137936-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)3-chloropropionamide MENDELOVICI MARIOARA (IL) 2002-09-26 US disclosed
US-20020032333-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)-3-chloropropionamide TEVA PHARMACEUTICAL USA, INC. 2002-03-14 US disclosed
WO-2001070697-A1 PROCESSES FOR PREPARING 6-HYDROXY-3,4-DIHYDROQUINOLINONE, CILOSTAZOL AND N-(4-METHOXYPHENYL)-3-CHLOROPROPIONAMIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2001-09-27 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 (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-20040034228-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)-3-chloropropionamide HRH2, HRH3, HRH4 CA1 1480/4885CA2 1794/4885PARP10 3795/4885
US-20030176703-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)-3-chloropropionamide HRH2, HRH3, HRH4 CA1 1480/4885CA2 1794/4885PARP10 3795/4885
US-20020137936-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)3-chloropropionamide HRH2, HRH3, PDE8B CA1 2010/4885CA2 2048/4885PARP10 3775/4885
US-20020032333-A1 Processes for preparing 6-hydroxy-3,4-dihydroquinolinone, cilostazol and N-(4-methoxyphenyl)-3-chloropropionamide HRH2, HRH3, HRH4 CA1 1480/4885CA2 1794/4885PARP10 3795/4885

“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.