SCHEMBL3133067

SCHEMBL3133067

COc1cc(NC(=S)Nc2ccc(N3CCOCC3)nc2)ccc1-c1cc2ccccc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
MAPT P10636 7/20 0.54
KDM4E B2RXH2 5/20 0.54
LMNA P02545 5/20 0.54
HPGD P15428 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 3/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
NOD2 Q9HC29 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MTOR P42345 1/20 0.47
THRB P10828 1/20 0.45
DGAT1 O75907 3/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL3128171 0.88 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL3133350 0.85 MAPT (0.48) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL3125211 0.81 ALDH1A1 (0.63) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL3124699 0.74 ALDH1A1 (0.77) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL3130403 0.74 KDM4E (0.73) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL3133866 0.73 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL3128185 0.73 MAPT (0.51) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL3128145 0.72 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL4493313 0.70 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL3131280 0.68 MAPT (0.58) ALDH1A1MAPTKDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021333-B1 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS ETHICAL ONCOLOGY SCIENCE S (IT) 2010-07-14 EP claimed
US-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2009-08-13 US claimed
EP-2021333-A2 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS - Ethical Oncology Science S.p.A. (IT) 2009-02-11 EP claimed
WO-2007135565-A2 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2007-11-29 WO claimed
EP-1860104-A1 Anti-proliferative compounds deriving from a 3-aryl-coumarine or 3-aryl-quinolin-2-one and uses thereof Aptanomics (FR) 2007-11-28 EP claimed
US-20140171311-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 US disclosed
EP-2021333-B1 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS ETHICAL ONCOLOGY SCIENCE S (IT) 2010-07-14 EP disclosed
EP-2021333-B1 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS ETHICAL ONCOLOGY SCIENCE S (IT) 2010-07-14 EP disclosed
US-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2009-08-13 US disclosed
US-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2009-08-13 US disclosed
US-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2009-08-13 US disclosed
EP-2021333-A2 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS - Ethical Oncology Science S.p.A. (IT) 2009-02-11 EP disclosed
WO-2007135565-A2 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2007-11-29 WO disclosed
WO-2007135565-A2 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2007-11-29 WO disclosed
EP-1860104-A1 Anti-proliferative compounds deriving from a 3-aryl-coumarine or 3-aryl-quinolin-2-one and uses thereof Aptanomics (FR) 2007-11-28 EP 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 (2 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-20140171311-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 854/4885MAPT 3589/4885KDM4E 3388/4885
US-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF MKI67, CCNA1, CCNI ALDH1A1 376/4885MAPT 4821/4885KDM4E 1350/4885

“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.