SCHEMBL6506129

SCHEMBL6506129

Nc1ccccc1NC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.61
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FAAH O00519 1/20 0.51
TRPV6 Q9H1D0 1/20 0.50
LTA4H P09960 1/20 0.49
MAPK1 P28482 1/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
CCR3 P51677 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
SCHEMBL5671677 0.85 KDM4E (0.70) KDM4EGAAMAPK1ROCK2ROCK1
Hydrochloric Acid SCHEMBL11102409 0.84 KDM4E (0.68) KDM4EGAAMAPK1ROCK2ROCK1
SCHEMBL6501384 0.79 ALDH1A1 (0.66) CCR8KDM4EALDH1A1TDP1HPGD
SCHEMBL1832091 0.78 BCHE (0.59) KDM4EGAAMAPK1ROCK2ROCK1
SCHEMBL6499380 0.76 CCR8 (1.00) CCR8CCR3
SCHEMBL7007839 0.76 KDM4E (0.64) KDM4EHTTGAALMNAMAPK1
SCHEMBL6528757 0.75 KDM4E (0.64) CCR8KDM4EALDH1A1TDP1HPGD
SCHEMBL6507394 0.75 CCR8 (0.78) CCR8CCR3
SCHEMBL6160636 0.75 KDM4E (0.59) KDM4EALDH1A1HTTGAALMNA
SCHEMBL8883571 0.75 KDM4E (0.59) KDM4EALDH1A1HTTGAALMNA

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 CCR8 1/4885KDM4E 4617/4885ALDH1A1 1071/4885

“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.