SCHEMBL4483006

SCHEMBL4483006

COc1cc(C=CC=C(C#N)C(=O)NCCc2ccccc2)cc(OC)c1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.78
MAPT P10636 2/20 0.78
KMT2A Q03164 2/20 0.78
MAOB P27338 2/20 0.68
ALOX5 P09917 3/20 0.62
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MCL1 Q07820 1/20 0.55
DNM1 Q05193 5/20 0.53
EGFR P00533 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
RGS12 O14924 1/20 0.53
GMNN O75496 1/20 0.53
ERBB2 P04626 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL6030512 1.00 MEN1 (0.78) MEN1MAPTKMT2AMAOBALOX5
SCHEMBL6029881 0.94 MAPT (0.69) MEN1MAPTKMT2AMAOBALOX5
SCHEMBL4486799 0.94 MAPT (0.69) MEN1MAPTKMT2AMAOBALOX5
SCHEMBL13678117 0.93 MAPT (0.68) MEN1MAPTKMT2AMAOBALOX5
SCHEMBL13678140 0.91 MEN1 (0.65) MEN1MAPTKMT2AMAOBALOX5
SCHEMBL13678139 0.91 MEN1 (0.64) MEN1MAPTKMT2AMAOBALOX5
SCHEMBL13678101 0.90 MAOB (0.78) MEN1MAPTKMT2AMAOBALOX5
SCHEMBL6028906 0.90 MAOB (0.71) MEN1MAPTKMT2AMAOBALDH1A1
SCHEMBL4487344 0.90 MAOB (0.71) MEN1MAPTKMT2AMAOBALDH1A1
SCHEMBL4489692 0.90 MCL1 (0.70) MEN1MAPTKMT2AMAOBALOX5

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1272457-B9 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-12-20 EP claimed
EP-1272457-B1 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-08-23 EP claimed
US-7012095-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2006-03-14 US claimed
US-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
EP-1727822-A4 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2007-05-09 EP disclosed
EP-1272457-B9 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-12-20 EP disclosed
EP-1727822-A1 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2006-12-06 EP disclosed
EP-1272457-B1 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-08-23 EP disclosed
WO-2005092904-A1 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2005-10-06 WO disclosed
US-6800659-B2 NOVEL STYRYLACRYLONITRILE COMPOUNDS WHICH ARE USEFUL IN TREATING A VARIETY OF CELL PROLIFERATIVE DISORDERS SUCH AS CANCER ARE DISCLOSED. A METHOD OF MODULATING CELL PROLIFERATION COMPRISING ADMINISTERING AN EFFECTIVE AMOUNT OF HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-05 US 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-20070243612-A1 Novel Compounds for Modulating Cell Proliferation MKI67, CCNA1, PCNA MEN1 2749/4885MAPT 4784/4885KMT2A 3146/4885

“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.