SCHEMBL5652155

SCHEMBL5652155

NC(=O)C(=O)NC1CCCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
ALDH1A1 P00352 2/20 0.63
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
EPHX1 P07099 1/20 0.62
TAS1R3 Q7RTX0 5/20 0.59
TAS1R1 Q7RTX1 5/20 0.59
TAS1R2 Q8TE23 3/20 0.59
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL30852969 1.00 HTT (0.65) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL29179603 1.00 HTT (0.65) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL4472558 0.91 CA1 (0.54) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL30751972 0.88 HTT (0.68) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL2358933 0.88 HTT (0.68) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL1441796 0.88 HTT (0.68) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL30046159 0.88 HTT (0.68) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL24710086 0.86 HTT (0.71) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL30277147 0.86 HTT (0.71) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL30133389 0.86 HTT (0.71) HTTALDH1A1KMT2AMEN1EPHX1

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 HTT 4318/4885ALDH1A1 4424/4885KMT2A 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.