SCHEMBL4487745

SCHEMBL4487745

COc1cc(/C=C/C=C(\C#N)C(=O)NC(=O)C=S)cc(OC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.48
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
MAPT P10636 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
EGFR P00533 3/20 0.42
LMNA P02545 3/20 0.40
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4487740 0.87 DNM1 (0.46) DNM1KMT2AMEN1MAPTCYP1A2
SCHEMBL4485253 0.87 DNM1 (0.48) DNM1KMT2AMEN1MAPTCYP1A2
SCHEMBL4485259 0.87 DNM1 (0.48) DNM1KMT2AMEN1MAPTCYP1A2
SCHEMBL4488546 0.82 APP (0.52) DNM1KMT2AMEN1MAPTCYP1A2
SCHEMBL4488550 0.82 APP (0.52) DNM1KMT2AMEN1MAPTCYP1A2
SCHEMBL4481022 0.80 PKM (0.54) DNM1KMT2AMEN1MAPTCYP1A2
SCHEMBL4481016 0.80 PKM (0.54) DNM1KMT2AMEN1MAPTCYP1A2
SCHEMBL13678150 0.80 CYP1A2 (0.51) DNM1KMT2AMEN1MAPTCYP1A2
SCHEMBL5597169 0.80 DNM1 (0.60) DNM1KMT2AMEN1MAPTCYP1A2
SCHEMBL4485755 0.80 DNM1 (0.60) DNM1KMT2AMEN1MAPTCYP1A2

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 15 patents. 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
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
US-7012095-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2006-03-14 US disclosed
WO-2005092904-A1 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2005-10-06 WO 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
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
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 (4 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 DNM1 2951/4885KMT2A 3146/4885MEN1 2749/4885
US-20040209845-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI DNM1 2447/4885KMT2A 3487/4885MEN1 1705/4885
US-20030109502-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI DNM1 2447/4885KMT2A 3487/4885MEN1 1705/4885
US-20040072803-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, MCL1 DNM1 2566/4885KMT2A 3377/4885MEN1 1965/4885

“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.