SCHEMBL2480562

SCHEMBL2480562

CC(C)CSc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
MAOA P21397 2/20 0.44
CA2 P00918 1/20 0.44
MAOB P27338 1/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
BACE1 P56817 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 2/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
MMP1 P03956 1/20 0.37
FCER2 P06734 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3658991 0.84 MAOA (0.42) NR1H2MAOACA2MAOBESR1
SCHEMBL30312969 0.83 MAOA (0.66) NR1H2MAOACA2MAOBTAAR1
SCHEMBL8656423 0.81 MAOA (0.40) NR1H2MAOACA2MAOBESR1
SCHEMBL15855667 0.79 HPGD (0.49) MAOAMAOBLMNAMAPTCYP2C19
SCHEMBL1549295 0.79 BACE1 (0.51) NR1H2MAOACA2BACE1TAAR1
SCHEMBL23393807 0.78 MAOA (0.41) MAOAMAOBMTNR1AMTNR1B
SCHEMBL11396813 0.78 MAOA (0.51) NR1H2MAOACA2MAOBESR1
SCHEMBL3228855 0.78 TAAR1 (0.50) MAOAMAOBESR1ESR2BACE1
SCHEMBL8260518 0.77 MAOA (0.48) MAOAMAOBMTNR1AMTNR1BCYP3A4
SCHEMBL8258989 0.77 HPGD (0.50) MAOAMAOBLMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 EP disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors BARKER MICHAEL D 2006-08-10 US disclosed
US-4405796-A Processes for making phosphorus derivatives of aminothiomethylcarbamates THE UPJOHN COMPANY (US) 1983-09-20 US disclosed
US-4354975-A Processes for making phosphorus derivatives of aminothiomethylcarbamates THE UPJOHN COMPANY (US) 1982-10-19 US disclosed
US-4336207-A Phosphorus derivatives of aminothiocarbamoyl halides THE UPJOHN COMPANY (US) 1982-06-22 US disclosed
US-4308217-A Disulfides of amides of phosphoric acid THE UPJOHN COMPANY (US) 1981-12-29 US disclosed
US-4279840-A Processes for making phosphorus containing aminothiocarbamoyl halides THE UPJOHN COMPANY (US) 1981-07-21 US disclosed
US-4279839-A Processes for making phosphorus containing aminothiocarbamoyl halides THE UPJOHN COMPANY (US) 1981-07-21 US disclosed
US-4234521-A Phosphorus derivatives of aminothiocarbamoyl halides THE UPJOHN COMPANY (US) 1980-11-18 US disclosed
US-4208409-A N-[(phosphinyl or phosphinothioyl)amino]thio-methylcarbamates and pesticidal methods THE UPJOHN COMPANY (US) 1980-06-17 US disclosed
US-4201733-A PESTICIDES THE UPJOHN COMPANY (US) 1980-05-06 US disclosed
US-4081536-A N-[(phosphinyl) amino]thio- and N-[(phosphinothioyl)amino]-thio-methylcarbamates and methods for controlling insects THE UPJOHN COMPANY (US) 1978-03-28 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 (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-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A NR1H2 1484/4885MAOA 106/4885CA2 1594/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A NR1H2 1484/4885MAOA 106/4885CA2 1594/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A NR1H2 1484/4885MAOA 106/4885CA2 1594/4885

“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.