SCHEMBL5654015

SCHEMBL5654015

NC(C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC1CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
LMNA P02545 3/20 0.50
DHODH Q02127 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP36 Q9P275 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CCR2 P41597 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.46
TACR1 P25103 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
SCHEMBL5654189 0.82 TAOK3 (0.62) KMT2AMEN1TAS1R3TAS1R1LMNA
SCHEMBL31458310 0.80 TAOK3 (0.68) KMT2AMEN1LMNADHODHALDH1A1
SCHEMBL14422174 0.80 TAOK3 (0.68) KMT2AMEN1LMNADHODHALDH1A1
SCHEMBL5654927 0.79 ALDH1A1 (0.54) KMT2AMEN1TAS1R3TAS1R1LMNA
SCHEMBL13355344 0.76 LMNA (0.79) KMT2AMEN1TAS1R3TAS1R1LMNA
SCHEMBL29131611 0.75 HTT (0.60) KMT2AMEN1TAS1R3TAS1R1NPSR1
SCHEMBL29131608 0.75 HTT (0.60) KMT2AMEN1TAS1R3TAS1R1NPSR1
SCHEMBL12310924 0.73 HTT (0.61) KMT2AMEN1TAS1R3TAS1R1LMNA
SCHEMBL24105900 0.72 HTT (0.63) KMT2AMEN1TAS1R3TAS1R1NPSR1
SCHEMBL15006999 0.72 HTT (0.63) KMT2AMEN1TAS1R3TAS1R1LMNA

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 KMT2A 2240/4885MEN1 4410/4885TAS1R3 1630/4885

“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.