SCHEMBL3138039

SCHEMBL3138039

COc1cc(N)ccc1-c1cc2ccccc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.46
▸ BRPF1 P55201 3/20 0.43
▸ AHR P35869 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BRD4 O60885 3/20 0.40
▸ KLK7 P49862 1/20 0.38
▸ IMPDH2 P12268 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ IMPDH1 P20839 1/20 0.37
▸ PDE7A Q13946 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL3135299 0.80 HTT (0.45) DAOKMT2ALMNASMN1; SMN2MAPT
SCHEMBL13757029 0.77 DAO (0.53) DAOBRPF1AHRKDM4EKMT2A
SCHEMBL13478600 0.77 DAO (0.59) DAOBRPF1AHRHCRTR1HCRTR2
SCHEMBL347390 0.72 MAPT (0.59) KDM4EIMPDH2LMNAIMPDH1MAPT
SCHEMBL30839714 0.72 MAPT (0.59) KDM4EIMPDH2LMNAIMPDH1MAPT
SCHEMBL3685492 0.72 BRD4 (0.43) KDM4EKMT2ABRD4IMPDH2LMNA
SCHEMBL18537222 0.72 AHR (0.56) DAOAHRKDM4EKMT2A
SCHEMBL3127507 0.72 NCOA1 (0.59) KDM4EKMT2ALMNAHPGDSMN1; SMN2
SCHEMBL29496272 0.71 DAO (0.46) DAOBRPF1AHRKDM4EKMT2A
Hydrochloric Acid SCHEMBL10604756 0.71 MAPT (0.57) KDM4EKMT2AIMPDH2LMNAIMPDH1

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 7 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
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

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 DAO 4030/4885BRPF1 3317/4885AHR 130/4885

“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.

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