SCHEMBL5650448

SCHEMBL5650448

CCC1(C(=O)NCC(=O)NCc2ccccc2)C=CC(c2ccccc2)C=C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.40
PPID Q08752 1/20 0.40
NPC1 O15118 1/20 0.40
FAAH O00519 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL403859 0.72 CSK (0.34)
SCHEMBL4868126 0.68 KDM1A (0.35) ALDH1A1LMNA
SCHEMBL7529131 0.68 GAA (0.59) EPHX2L3MBTL1CYP3A4CYP2C19KMT2A
SCHEMBL4878751 0.68 KDM1A (0.35) NPC1RAB9A
SCHEMBL14617667 0.68 SMN1; SMN2 (0.81) SMN1; SMN2L3MBTL1CYP2C19KMT2AGAA
SCHEMBL25412009 0.68 GAA (0.63) SMN1; SMN2CYP2C19KMT2AGAAALDH1A1
SCHEMBL9509533 0.67 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1KMT2AGAAALDH1A1
SCHEMBL25410244 0.67 GAA (0.61) SMN1; SMN2CYP2C19KMT2AGAAALDH1A1
SCHEMBL12765264 0.67 GAA (0.61) SMN1; SMN2EPHX2L3MBTL1CYP3A4CYP2C19
SCHEMBL9080 0.66 GAA (0.66) SMN1; SMN2EPHX2L3MBTL1CYP3A4CYP2C19

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 SMN1; SMN2 4552/4885EPHX2 3128/4885L3MBTL1 1991/4885

“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.