SCHEMBL3136853

SCHEMBL3136853

COc1cc(N(S)C(=O)Nc2ccccc2)ccc1-c1cc2ccccc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KDM4E B2RXH2 7/20 0.54
HPGD P15428 6/20 0.54
MAPT P10636 6/20 0.54
LMNA P02545 4/20 0.54
KMT2A Q03164 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
NOD2 Q9HC29 1/20 0.51
THRB P10828 1/20 0.50
MAOB P27338 8/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46

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
SCHEMBL3128185 0.87 MAPT (0.51) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3133350 0.81 MAPT (0.48) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3128145 0.81 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3124706 0.81 MAPT (0.64) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3131662 0.79 MAPT (0.62) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3125211 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTLMNA
Hydrochloric Acid SCHEMBL3127773 0.78 MAPT (0.61) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3130403 0.77 KDM4E (0.73) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3131560 0.77 MAPT (0.61) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL3133871 0.76 MAPT (0.60) ALDH1A1KDM4EHPGDMAPTLMNA

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 4 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 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 ALDH1A1 376/4885KDM4E 1350/4885HPGD 1336/4885

“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.