SCHEMBL6501382

SCHEMBL6501382

NC(=O)C1C[CH]CCN1Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
SPHK1 Q9NYA1 1/20 0.51
CCR8 P51685 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FAAH O00519 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL6504152 0.88 CCR8 (0.52) KMT2AMEN1SPHK1CCR8MAOB
SCHEMBL6505049 0.87 FAAH (0.48) KMT2AMEN1SPHK1CCR8FAAH
SCHEMBL2699801 0.85 SPHK1 (0.49) SPHK1GAASMN1; SMN2POLBMAOA
SCHEMBL6505185 0.83 CCR8 (0.45) KMT2AMEN1SPHK1CCR8ALDH1A1
SCHEMBL2855574 0.81 KDM4E (0.46) KMT2ASPHK1KDM4ETDP1MAOA
SCHEMBL14813948 0.75 GRM2 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL3873308 0.74 ALDH1A1 (0.42) SPHK1ALDH1A1TDP1POLBMAOA
SCHEMBL14142405 0.74 GAA (0.46) SPHK1ALDH1A1KDM4EGAAPOLB
SCHEMBL5015327 0.74 KDM4E (0.48) ALDH1A1KDM4EHTTPOLB
SCHEMBL4891642 0.74 KMT2A (0.55) KMT2AMEN1CCR8ALDH1A1KDM4E

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 KMT2A 4477/4885MEN1 3088/4885SPHK1 541/4885

“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.