SCHEMBL5652383

SCHEMBL5652383

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.56
TAOK3 Q9H2K8 4/20 0.54
TAOK1 Q7L7X3 3/20 0.54
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.49
DHODH Q02127 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CFD P00746 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL5652387 0.83 EPHX2 (0.50) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL5651521 0.82 TAOK3 (0.58) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL5654189 0.82 TAOK3 (0.62) TAOK3TAOK1ALDH1A1HTTKMT2A
SCHEMBL14422180 0.81 TAOK3 (0.73) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL29131614 0.78 EPHX2 (0.60) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL29131610 0.78 EPHX2 (0.60) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL29131632 0.75 OPRK1 (0.59) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL29131630 0.75 OPRK1 (0.59) EPHX2TAOK3TAOK1ALDH1A1HTT
SCHEMBL12310924 0.73 HTT (0.61) ALDH1A1HTTKMT2AMEN1
SCHEMBL29131608 0.73 HTT (0.60) TAOK3TAOK1ALDH1A1HTTL3MBTL1

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.