SCHEMBL4471126

SCHEMBL4471126

N#CCC(=O)NC(=O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.62
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
EPHX2 P34913 2/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
LMNA P02545 3/20 0.48
ALDH1A1 P00352 4/20 0.46
CNR2 P34972 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL9142127 0.86 MCL1 (0.62) MCL1MEN1KMT2AHDAC8HDAC6
SCHEMBL699925 0.84 MEN1 (0.71) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL4776930 0.83 MCL1 (0.42) MCL1MEN1KMT2AHDAC8HDAC6
SCHEMBL4486916 0.83 MCL1 (0.58) MCL1MEN1KMT2AHDAC8HDAC6
SCHEMBL4780769 0.78 AKR1B1 (0.50) MCL1ALDH1A1AKR1B1GAAKDM4E
SCHEMBL1529438 0.77 MCL1 (0.55) MCL1MEN1KMT2AHDAC8HDAC6
SCHEMBL7919239 0.77 MCL1 (0.55) MCL1MEN1KMT2ACTSLCTSS
SCHEMBL6470572 0.77 MEN1 (0.65) MEN1KMT2AHDAC8HDAC6EPHX2
SCHEMBL10612693 0.76 CTSS (0.66) MCL1MEN1KMT2AHDAC8HDAC6
SCHEMBL4481569 0.76 MCL1 (0.54) MCL1MEN1KMT2AHDAC8HDAC6

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 18 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-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
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 (5 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 MCL1 7/4885MEN1 2749/4885KMT2A 3146/4885
US-20040209845-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI MCL1 5/4885MEN1 1705/4885KMT2A 3487/4885
US-20030109502-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI MCL1 5/4885MEN1 1705/4885KMT2A 3487/4885
US-20050014690-A1 Styryl acrylonitrile compounds and their use to promote myelopoiesis MCL1, MYD88, MYADM MCL1 1/4885MEN1 735/4885KMT2A 1728/4885
US-20040072803-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, MCL1 MCL1 3/4885MEN1 1965/4885KMT2A 3377/4885

“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.