SCHEMBL3127786

SCHEMBL3127786

COc1cc(N=C(N)NC(=O)/C=C/c2ccco2)ccc1-c1cc2ccccc2oc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.44
MAPT P10636 9/20 0.44
MEN1 O00255 8/20 0.44
ALDH1A1 P00352 9/20 0.44
RECQL P46063 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 8/20 0.43
HPGD P15428 5/20 0.43
HTT P42858 3/20 0.43
POLB P06746 2/20 0.43
ALOX12 P18054 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 5/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 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
SCHEMBL3135574 0.89 MAPT (0.43) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL3134029 0.89 MAPT (0.43) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL3134034 0.89 MAPT (0.43) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL3121855 0.82 KDM4E (0.40) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL3121860 0.82 KDM4E (0.40) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL13757053 0.81 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL3121829 0.81 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL3131280 0.81 MAPT (0.58) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL3131303 0.81 MAPT (0.58) KMT2AMAPTMEN1ALDH1A1RECQL
SCHEMBL3128153 0.81 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1RECQL

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 KMT2A 1460/4885MAPT 4821/4885MEN1 3321/4885

“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.