SCHEMBL5653425

SCHEMBL5653425

CC(C)CC(NC1CCCc2ccccc21)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
USP2 O75604 1/20 0.61
TAOK1 Q7L7X3 2/20 0.57
TAOK3 Q9H2K8 2/20 0.57
HTT P42858 3/20 0.49
MMP1 P03956 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
TSHR P16473 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
HPGD P15428 1/20 0.46
SCN3A Q9NY46 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL5653436 1.00 ALDH1A1 (0.64) ALDH1A1USP2TAOK1TAOK3HTT
SCHEMBL5651524 0.80 TAOK3 (0.50) ALDH1A1TAOK1TAOK3HTTMEN1
SCHEMBL5198356 0.79 ALDH1A1 (0.61) ALDH1A1USP2TAOK1TAOK3HTT
SCHEMBL5653431 0.78 ALDH1A1 (0.64) ALDH1A1USP2TAOK1TAOK3HTT
Hydrochloric Acid SCHEMBL27504650 0.77 CA1 (0.47) ALDH1A1HTTMMP1MMP9TAS1R3
SCHEMBL10159937 0.77 PDPK1 (0.53) ALDH1A1USP2HTTPLA2G1BATG4B
SCHEMBL12130659 0.77 PDPK1 (0.53) ALDH1A1USP2HTTPLA2G1BATG4B
SCHEMBL13164295 0.77 PDPK1 (0.53) ALDH1A1USP2HTTPLA2G1BATG4B
SCHEMBL6678910 0.77 HTT (0.58) ALDH1A1USP2HTTTSHRTAS1R3
SCHEMBL6678912 0.77 HTT (0.58) ALDH1A1USP2HTTTSHRTAS1R3

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 ALDH1A1 4424/4885USP2 2224/4885TAOK1 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.