SCHEMBL4495472

SCHEMBL4495472

COc1ccc(/C=C/C=C(\C#N)C(=O)NC(C)c2ccccc2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.74
MEN1 O00255 6/20 0.74
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 4/20 0.56
TP53 P04637 3/20 0.56
MAPK1 P28482 3/20 0.56
HTT P42858 2/20 0.56
MITF O75030 1/20 0.56
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
RGS12 O14924 2/20 0.54
GMNN O75496 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
ALOX15 P16050 2/20 0.54
TSHR P16473 2/20 0.54
ALOX12 P18054 2/20 0.54

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
SCHEMBL4487339 1.00 KMT2A (0.74) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4482998 0.90 KMT2A (0.77) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4483004 0.90 KMT2A (0.77) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4484514 0.80 MAOB (0.70) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4484519 0.80 MAOB (0.70) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL9360860 0.80 CYP1A2 (0.59) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL9360863 0.80 CYP1A2 (0.59) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL6028906 0.79 MAOB (0.71) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4487344 0.79 MAOB (0.71) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4486789 0.77 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTLMNA

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 6 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-1727822-A1 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2006-12-06 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 KMT2A 3146/4885MEN1 2749/4885ALDH1A1 546/4885

“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.