SCHEMBL5654930

SCHEMBL5654930

CCc1cccc(NC(=O)C(NC2CCCc3ccccc32)C(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.45
BACE1 P56817 1/20 0.44
CFD P00746 2/20 0.43
SCN3A Q9NY46 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ACKR3 P25106 1/20 0.43

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
SCHEMBL5654927 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5654193 0.80 TAOK3 (0.56) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL31458333 0.76 TAOK3 (0.67) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL14422175 0.76 TAOK3 (0.67) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL5652387 0.72 EPHX2 (0.50) ALDH1A1HTTCFDKDM4E
SCHEMBL5653054 0.71 TAOK1 (0.64) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5653436 0.69 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1HTTSCN3A
SCHEMBL5653425 0.69 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1HTTSCN3A
SCHEMBL5654660 0.69 TAOK1 (0.62) ALDH1A1KMT2AMAPTLMNAHTT
SCHEMBL5198356 0.68 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1LMNASMN1; SMN2

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 ALDH1A1 4424/4885KMT2A 2240/4885MEN1 4410/4885

“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.