SCHEMBL4649467

SCHEMBL4649467

CCOC(=O)C1=C(CCl)NC(=O)NC1c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
PKM P14618 1/20 0.71
GAA P10253 1/20 0.71
MAPK1 P28482 2/20 0.69
TP53 P04637 1/20 0.69
TSHR P16473 1/20 0.69
POLB P06746 3/20 0.68
USP2 O75604 1/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 1/20 0.68
ALOX15 P16050 1/20 0.64
KDM4E B2RXH2 1/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63

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
SCHEMBL14413641 0.87 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL18719830 0.86 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL12443647 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL3943551 0.82 KMT2A (0.72) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL3435307 0.81 KIF11 (0.76) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL14413639 0.80 ALDH1A1 (0.87) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL13425561 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL3946750 0.79 HTT (0.66) ALDH1A1KMT2AMEN1SMN1; SMN2PKM
SCHEMBL4668200 0.77 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1TSHRPOLB
SCHEMBL17413872 0.73 HTT (0.79) ALDH1A1KMT2AMEN1SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675834-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2008-08-27 EP claimed
EP-1675834-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-07-05 EP claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US claimed
WO-2005037799-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2005-04-28 WO claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 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 (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-20050282838-A1 Compounds, compositions, and methods PCNA, MKI67, TP53 ALDH1A1 1008/4885KMT2A 3976/4885MEN1 708/4885

“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.