SCHEMBL5653054

SCHEMBL5653054

COc1cccc(OCC(=O)C(NC2CCCc3ccccc32)C(N)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.64
TAOK3 Q9H2K8 1/20 0.64
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 4/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SCN3A Q9NY46 1/20 0.49
ATM Q13315 1/20 0.48
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 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
SCHEMBL5652174 0.84 TAOK3 (0.61) TAOK1TAOK3KMT2AALDH1A1MAPT
SCHEMBL5652656 0.84 TAOK1 (0.61) TAOK1TAOK3KMT2AALDH1A1MAPT
SCHEMBL5653045 0.84 TAOK1 (0.68) TAOK1TAOK3KMT2AMEN1ALDH1A1
SCHEMBL5652352 0.84 TAOK1 (0.62) TAOK1TAOK3KMT2AMEN1ALDH1A1
SCHEMBL5654660 0.83 TAOK1 (0.62) TAOK1TAOK3KMT2AALDH1A1MAPT
SCHEMBL31458364 0.78 TAOK1 (1.00) TAOK1TAOK3KMT2AMEN1ALDH1A1
SCHEMBL14422169 0.78 TAOK1 (1.00) TAOK1TAOK3KMT2AMEN1ALDH1A1
SCHEMBL15131136 0.73 KMT2A (0.57) TAOK1TAOK3KMT2AMEN1ALDH1A1
SCHEMBL5654930 0.71 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL6252377 0.69 KMT2A (0.68) TAOK1TAOK3KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US claimed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 TAOK1 1/4885TAOK3 2/4885KMT2A 2240/4885

“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.