SCHEMBL4500865

SCHEMBL4500865

NC(=O)c1cc(Cl)ccc1C(=O)NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
KCNA5 P22460 1/20 0.57
KMT2A Q03164 2/20 0.56
TUBB P07437 1/20 0.55
HSP90AA1 P07900 1/20 0.55
LMNA P02545 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
APEX1 P27695 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52

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
SCHEMBL10733419 0.88 KMT2A (0.69) HPGDCYP1A2CYP3A4CYP2C19KCNA5
SCHEMBL15621739 0.85 KMT2A (0.62) HPGDCYP3A4CYP2C19KMT2AHSP90AA1
SCHEMBL4500866 0.84 HPGD (0.64) HPGDCYP1A2CYP3A4CYP2C19KCNA5
SCHEMBL6356697 0.84 HPGD (0.67) HPGDCYP1A2CYP3A4CYP2C19KCNA5
SCHEMBL13236587 0.82 TUBB (0.75) HPGDCYP1A2CYP3A4CYP2C19KCNA5
SCHEMBL30100461 0.82 TUBB (0.75) HPGDCYP1A2CYP3A4CYP2C19KCNA5
SCHEMBL14741282 0.82 HSP90AA1 (0.69) HPGDCYP1A2CYP3A4CYP2C19KCNA5
SCHEMBL25045867 0.81 HPGD (0.60) HPGDCYP1A2CYP3A4CYP2C19KCNA5
SCHEMBL16982943 0.81 HPGD (0.64) HPGDCYP1A2CYP3A4CYP2C19KCNA5
SCHEMBL20354126 0.80 HPGD (0.62) HPGDCYP1A2CYP3A4CYP2C19KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557115-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2009-07-07 US disclosed
EP-1537089-A4 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2008-04-16 EP disclosed
EP-1558083-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-04-16 EP disclosed
US-20080021050-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2008-01-24 US disclosed
US-7211580-B2 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2007-05-01 US disclosed
US-20060264449-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-11-23 US disclosed
EP-1558083-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-08-03 EP disclosed
EP-1537089-A2 COMPOUNDS COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2005-06-08 EP disclosed
US-20040142949-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-07-22 US disclosed
WO-2004034972-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-04-29 WO disclosed
WO-2004009036-A2 COMPOUNDS COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2004-01-29 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 (3 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-20080021050-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 HPGD 1063/4885CYP1A2 4049/4885CYP3A4 4535/4885
US-20060264449-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 HPGD 1063/4885CYP1A2 4049/4885CYP3A4 4535/4885
US-20040142949-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 HPGD 1063/4885CYP1A2 4049/4885CYP3A4 4535/4885

“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.