SCHEMBL4486916

SCHEMBL4486916

N#CCC(=O)NC(=O)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.58
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
HDAC1 Q13547 3/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 6/20 0.51
GAA P10253 1/20 0.49
KEAP1 Q14145 1/20 0.48
TSHR P16473 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
ALOX12 P18054 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL20597404 0.86 HDAC2 (0.73) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL4471126 0.83 MCL1 (0.62) MCL1HDAC8HDAC6ALDH1A1GAA
SCHEMBL925108 0.79 KEAP1 (0.55) MCL1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL2265490 0.78 MCL1 (0.70) MCL1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL30572280 0.77 HDAC2 (0.61) HDAC2HDAC8HDAC6SMN1; SMN2HDAC1
SCHEMBL27729715 0.76 ALDH1A1 (0.63) HDAC2HDAC8HDAC6SMN1; SMN2HDAC1
SCHEMBL7859213 0.75 HPGD (0.59) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A
SCHEMBL17529351 0.75 MCL1 (0.57) MCL1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL2263117 0.75 L3MBTL1 (0.68) MCL1RAB9APOLBALDH1A1GAA
SCHEMBL5430589 0.75 HDAC2 (0.63) HDAC2HDAC8HDAC6SMN1; SMN2RAB9A

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 MCL1 7/4885HDAC2 1415/4885HDAC8 805/4885
US-20040209845-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI MCL1 5/4885HDAC2 1251/4885HDAC8 1185/4885
US-20030109502-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI MCL1 5/4885HDAC2 1251/4885HDAC8 1185/4885
US-20040072803-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, MCL1 MCL1 3/4885HDAC2 1077/4885HDAC8 1230/4885

“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.