SCHEMBL4282096

SCHEMBL4282096

CN(C)C(=O)c1ccc(-c2ccc[c]c2Cl)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDK2 Q15119 5/20 0.40
MLLT3 P42568 2/20 0.38
MLLT1 Q03111 2/20 0.38
CNR1 P21554 1/20 0.38
HSP90AA1 P07900 1/20 0.37
PDK1 Q15118 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HNF4A P41235 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
PDK4 Q16654 3/20 0.35
KEAP1 Q14145 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
MAP4K1 Q92918 1/20 0.34
MCL1 Q07820 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL4280909 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HNF4AACMSD
SCHEMBL4282490 0.82 MKNK1 (0.47) KMT2APDK2ALDH1A1HNF4AACMSD
SCHEMBL4277908 0.81 PDK2 (0.49) SMN1; SMN2PDK2L3MBTL1PDK4
SCHEMBL4277490 0.81 PDK2 (0.40) MEN1KMT2APDK2ALDH1A1HNF4A
SCHEMBL4276945 0.75 APP (0.40) KMT2AALDH1A1HPGDMCL1
SCHEMBL4276821 0.75 APP (0.42) MEN1KMT2AALDH1A1HTT
SCHEMBL4280979 0.72 HSD17B1 (0.45) ACMSD
SCHEMBL3814352 0.71 HPGD (0.51) MEN1KMT2ASMN1; SMN2PDK2CNR1
SCHEMBL4277811 0.70 PTGES2 (0.39)
SCHEMBL4275992 0.68 HSD17B1 (0.50)

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
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (2 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 MEN1 4331/4885KMT2A 4398/4885SMN1; SMN2 658/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 MEN1 4344/4885KMT2A 4396/4885SMN1; SMN2 676/4885

“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.