SCHEMBL5652424

SCHEMBL5652424

NC(=O)C(Cc1c[nH]c2ccccc12)NC1CCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 10/20 0.57
TAOK1 Q7L7X3 3/20 0.56
TAOK3 Q9H2K8 2/20 0.56
MMP2 P08253 2/20 0.51
MMP3 P08254 2/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
ACE P12821 1/20 0.51
NMBR P28336 2/20 0.49
F10 P00742 1/20 0.48

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
SCHEMBL5652430 1.00 ECE1 (0.57) ECE1TAOK1TAOK3MMP2MMP3
SCHEMBL31730289 0.82 TAOK1 (0.60) ECE1TAOK1TAOK3MMP2MMP3
SCHEMBL5652426 0.82 TAOK1 (0.60) ECE1TAOK1TAOK3MMP2MMP3
SCHEMBL5653439 0.82 TAOK1 (0.60) ECE1TAOK1TAOK3MMP2MMP3
SCHEMBL29103332 0.78 ECE1 (0.57) ECE1TAOK1TAOK3MMP2MMP3
SCHEMBL5990647 0.77 HDAC1 (0.55) TAOK1TAOK3
SCHEMBL5990638 0.77 HDAC1 (0.55) TAOK1TAOK3
SCHEMBL5651524 0.77 TAOK3 (0.50) TAOK1TAOK3
SCHEMBL5653436 0.75 ALDH1A1 (0.64) TAOK1TAOK3MMP3MMP9
SCHEMBL5653425 0.75 ALDH1A1 (0.64) TAOK1TAOK3MMP3MMP9

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 1 patent. 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 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 ECE1 1291/4885TAOK1 1/4885TAOK3 2/4885

“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.