SCHEMBL4480718

SCHEMBL4480718

N#CCC(=O)NC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
TOP1 P11387 3/20 0.49
TERT O14746 1/20 0.46
GAA P10253 4/20 0.46
THRB P10828 1/20 0.46
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
MAPT P10636 3/20 0.43
CA7 P43166 3/20 0.43
CA14 Q9ULX7 3/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SNCA P37840 2/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
PTGS2 P35354 1/20 0.43
XDH P47989 1/20 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
SCHEMBL27828053 0.78 HDAC6 (0.72) HDAC6TOP1TERTGAACA12
SCHEMBL31387692 0.78 KDM4E (0.50) HDAC6TOP1GAACA12CA1
SCHEMBL6213492 0.78 KDM4E (0.50) HDAC6TOP1GAACA12CA1
SCHEMBL11089255 0.77 HDAC6 (0.55) HDAC6TOP1TERTGAACA12
SCHEMBL4481569 0.76 MCL1 (0.54) HDAC6GAATHRBCA12CA1
SCHEMBL4481359 0.76 CYP1A2 (0.62) GAACA12CA1CA2CA9
SCHEMBL11097003 0.74 HDAC6 (0.51) HDAC6TOP1TERTGAACA12
SCHEMBL9331318 0.73 ERCC1 (0.57) HDAC6TOP1TERTGAACA12
SCHEMBL31472702 0.71 HDAC6 (0.67) HDAC6TOP1TERTGAACA12
SCHEMBL2664433 0.71 HDAC6 (0.67) HDAC6TOP1TERTGAACA12

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1752446-A2 Compounds for modulating cell proliferation HSC Research and Development Limited Partnership (CA) 2007-02-14 EP disclosed
WO-2007006143-A1 COMPOSITIONS AND METHODS FOR DETECTING TRANSFORMED CELLS THE HOSPITAL FOR SICK CHILDREN (CA) 2007-01-18 WO 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
US-20060241084-A1 Inhibition of vascular endothelial growth factor THE HOSPITAL FOR SICK CHILDREN (CA) 2006-10-26 US disclosed
EP-1272457-B1 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RES DEV LP (CA) 2006-08-23 EP disclosed
US-7012095-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2006-03-14 US disclosed
US-20050014690-A1 Styryl acrylonitrile compounds and their use to promote myelopoiesis THE HOSPITAL FOR SICK CHILDREN (CA) 2005-01-20 US disclosed
US-20040209845-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-21 US 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
EP-1453500-A1 STYRYL ACRYLONITRILE COMPOUNDS AND THEIR USE TO PROMOTE MYELOPOIESIS THE HOSPITAL FOR SICK CHILDREN (CA) 2004-09-08 EP disclosed
WO-2004032911-A2 STYRYLACRYLONITRILE COMPOUNDS FOR INHIBITION OF VASCULAR ENDOTHELIAL GROWTH FACTOR THE HOSPITAL FOR SICK CHILDREN (CA) 2004-04-22 WO disclosed
US-20040072803-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2004-04-15 US disclosed
US-20030109502-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2003-06-12 US disclosed
WO-2003030895-A1 STYRYL ACRYLONITRILE COMPOUNDS AND THEIR USE TO PROMOTE MYELOPOIESIS THE HOSPITAL FOR SICK CHILDREN (CA) 2003-04-17 WO disclosed
EP-1272457-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2003-01-08 EP disclosed
WO-2001079158-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2001-10-25 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 (6 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-20060241084-A1 Inhibition of vascular endothelial growth factor VEGFA, FLT4, FLT1 HDAC6 2420/4885TOP1 3719/4885TERT 2677/4885
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation MKI67, CCNA1, PCNA HDAC6 769/4885TOP1 929/4885TERT 1330/4885
US-20040209845-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI HDAC6 780/4885TOP1 263/4885TERT 716/4885
US-20030109502-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI HDAC6 780/4885TOP1 263/4885TERT 716/4885
US-20050014690-A1 Styryl acrylonitrile compounds and their use to promote myelopoiesis MCL1, MYD88, MYADM HDAC6 984/4885TOP1 4042/4885TERT 100/4885
US-20040072803-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, MCL1 HDAC6 826/4885TOP1 419/4885TERT 829/4885

“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.