SCHEMBL3445901

SCHEMBL3445901

COc1cc(CC#N)cc(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.38
PDE2A O00408 2/20 0.38
HTT P42858 2/20 0.37
LOX P28300 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CLK1 P49759 1/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
ACP1 P24666 1/20 0.34
FLT3 P36888 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL13593209 0.81 ALDH1A1 (0.46) KDM4ETDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL1460245 0.79 RECQL (0.42) RECQLKDM4EALDH1A1PDE2AHTT
SCHEMBL29664640 0.77 LOXL2 (0.61) LOXLOXL2CLK1DYRK1APIK3CD
SCHEMBL23215147 0.77 LOXL2 (0.61) LOXLOXL2CLK1DYRK1APIK3CD
SCHEMBL1046247 0.74 ALDH1A1 (0.50) KDM4ETDP1ALDH1A1FLT3PKM
SCHEMBL9203057 0.74 ALDH1A1 (0.43) KDM4ETDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL15700314 0.73 TPMT (0.37) KDM4ETDP1PIK3CDPIK3CAPIK3CB
SCHEMBL10180543 0.73 RECQL (0.38) RECQLKDM4EALDH1A1PDE2AHTT
SCHEMBL5596892 0.73 LMNA (0.42) RECQLTDP1ALDH1A1PDE2ACLK1
SCHEMBL17469030 0.73 ALDH1A1 (0.48) RECQLKDM4ETDP1ALDH1A1PDE2A

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
US-7816368-B2 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2010-10-19 US disclosed
US-20090042924-A1 Pyridoindolone Derivatives Substituted in the 3-position by a Heterocyclic Group, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2009-02-12 US disclosed
US-7456193-B2 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-11-25 US disclosed
EP-1556380-B1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2006-04-12 EP disclosed
US-20050222192-A1 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2005-10-06 US disclosed
EP-1556380-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2005-07-27 EP disclosed
WO-2004037821-A1 PYRIDOINDOLONE DERIVATIVES SUBSTITUTED IN THE 3-POSITION BY A HETEROCYCLIC GROUP, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2004-05-06 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 (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-20050222192-A1 Pyridoindolone derivatives substituted in the 3-position by a heterocyclic group, their preparation and their application in therapeutics CBR3, PNPO, CBR1 RECQL 1219/4885KDM4E 2222/4885TDP1 2129/4885
US-20090042924-A1 Pyridoindolone Derivatives Substituted in the 3-position by a Heterocyclic Group, Their Preparation and Their Application in Therapeutics PNPO, DPYD, PDXK RECQL 75/4885KDM4E 2743/4885TDP1 904/4885

“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.