SCHEMBL5652387

SCHEMBL5652387

NC(=O)C(NC1CCCc2ccccc21)C(=O)NCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.50
TAOK3 Q9H2K8 4/20 0.47
TAOK1 Q7L7X3 3/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.43
DHODH Q02127 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CFD P00746 2/20 0.42

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
SCHEMBL5652383 0.83 EPHX2 (0.56) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL5654193 0.83 TAOK3 (0.56) TAOK3TAOK1ALDH1A1HTTKDM4E
SCHEMBL5651524 0.80 TAOK3 (0.50) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL14422180 0.76 TAOK3 (0.73) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL5651521 0.73 TAOK3 (0.58) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL5654930 0.72 ALDH1A1 (0.51) ALDH1A1HTTKDM4ECFD
SCHEMBL5653436 0.70 ALDH1A1 (0.64) TAOK3TAOK1ALDH1A1HTT
SCHEMBL5653425 0.70 ALDH1A1 (0.64) TAOK3TAOK1ALDH1A1HTT
SCHEMBL5654660 0.70 TAOK1 (0.62) TAOK3TAOK1ALDH1A1HTTL3MBTL1
SCHEMBL7048944 0.69 KDM4E (0.63) TAOK3TAOK1ALDH1A1HTTKDM4E

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 EPHX2 3128/4885TAOK3 2/4885TAOK1 1/4885

“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.