SCHEMBL4776502

SCHEMBL4776502

CNC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(OC(C)C)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 1/20 0.56
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
ACP1 P24666 1/20 0.48
PTPN12 Q05209 1/20 0.48
PTPN13 Q12923 1/20 0.48
SSU72 Q9NP77 1/20 0.48
TP53 P04637 1/20 0.48
MDM2 Q00987 1/20 0.48
HDAC8 Q9BY41 5/20 0.47
LTA4H P09960 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FPR2 P25090 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46

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
SCHEMBL4776505 0.89 MMP9 (0.52) MMP9MMP8ACP1PTPN12PTPN13
SCHEMBL14421564 0.88 CENPE (0.51) CENPEHDAC8FPR2HDAC3HDAC4
SCHEMBL14417653 0.87 HDAC8 (0.56) CENPEHDAC8
SCHEMBL4778783 0.85 LTA4H (0.56) ACP1PTPN12PTPN13SSU72HDAC8
SCHEMBL5569895 0.84 ACP1 (0.50) CENPEMMP9MMP8ACP1PTPN12
SCHEMBL5569179 0.79 LTA4H (0.55) ACP1PTPN12PTPN13SSU72LTA4H
SCHEMBL2104683 0.78 MMP9 (0.58) CENPEMMP9MMP8TP53MDM2
SCHEMBL2617148 0.75 CENPE (0.81) CENPEMMP9MMP8TP53MDM2
SCHEMBL2617311 0.75 CENPE (0.89) CENPETP53MDM2
SCHEMBL2617145 0.74 CENPE (0.82) CENPEMMP9MMP8TP53MDM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US claimed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US disclosed
US-20070219192-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-09-20 US disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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 (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-20070219192-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 CENPE 54/4885MMP9 3935/4885MMP8 2402/4885

“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.