SCHEMBL3131353

SCHEMBL3131353

COc1cc(NC(=S)NC(=O)C=Cc2ccco2)ccc1-c1cc2ccccc2n(CCO)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
POLB P06746 7/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
TDP1 Q9NUW8 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 17/20 0.53
MEN1 O00255 16/20 0.53
RECQL P46063 3/20 0.52
HTT P42858 2/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
THRB P10828 1/20 0.49
EIF4H Q15056 1/20 0.49
IMPDH2 P12268 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPC1 O15118 2/20 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
SCHEMBL3131343 1.00 MAPT (0.53) MAPTPOLBALDH1A1KDM4ETDP1
SCHEMBL3123056 0.91 MAPT (0.56) MAPTPOLBALDH1A1KDM4ETDP1
SCHEMBL3123041 0.91 MAPT (0.56) MAPTPOLBALDH1A1KDM4ETDP1
SCHEMBL3131349 0.85 IMPDH2 (0.43) MAPTPOLBALDH1A1KDM4ETDP1
SCHEMBL13763144 0.85 GPR55 (0.38) MAPTPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL3131280 0.81 MAPT (0.58) MAPTPOLBALDH1A1KDM4ETDP1
SCHEMBL3131303 0.81 MAPT (0.58) MAPTPOLBALDH1A1KDM4ETDP1
SCHEMBL3124645 0.81 MAPT (0.57) MAPTPOLBALDH1A1KDM4ETDP1
SCHEMBL3124676 0.81 MAPT (0.57) MAPTPOLBALDH1A1KDM4ETDP1
SCHEMBL3123049 0.75 IMPDH2 (0.46) MAPTPOLBALDH1A1KDM4ETDP1

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 8 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090203685-A1 ANTI-PROLIFERATIVE COMPOUNDS FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF MKI67, CCNA1, CCNI MAPT 4821/4885POLB 3489/4885ALDH1A1 376/4885

“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.