SCHEMBL5654927

SCHEMBL5654927

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.52
MAPT P10636 1/20 0.52
CFD P00746 3/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.48
ACKR3 P25106 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47

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
SCHEMBL5654930 0.83 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTCFD
SCHEMBL31458333 0.80 TAOK3 (0.67) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL14422175 0.80 TAOK3 (0.67) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL5654189 0.79 TAOK3 (0.62) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL5654015 0.79 KMT2A (0.51) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL29131611 0.75 HTT (0.60) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL29131608 0.75 HTT (0.60) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL29131630 0.74 OPRK1 (0.59) ALDH1A1KMT2AMEN1CFDHTT
SCHEMBL29131632 0.74 OPRK1 (0.59) ALDH1A1KMT2AMEN1CFDHTT
SCHEMBL14335070 0.74 HTT (0.63) ALDH1A1KMT2AMEN1HTTTAS1R3

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.