SCHEMBL6498313

SCHEMBL6498313

O=C(COc1ccccc1)N1CCCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
GAA P10253 3/20 0.65
LMNA P02545 3/20 0.65
KDM4E B2RXH2 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
FAAH O00519 7/20 0.61
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
ACHE P22303 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
USP2 O75604 2/20 0.57
MGLL Q99685 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL6509473 0.87 KDM4E (0.65) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL6497435 0.86 HRH3 (0.61) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL5064660 0.84 ACHE (0.77) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL6507060 0.84 MEN1 (0.70) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL6506556 0.84 ALDH1A1 (0.70) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL5059245 0.83 ALDH1A1 (0.76) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL6497411 0.83 MEN1 (0.63) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL6499049 0.83 KDM4E (0.60) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL6496798 0.82 KDM4E (0.59) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL3644401 0.82 KDM4E (0.79) ALDH1A1GAALMNAKDM4ESMN1; 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-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 ALDH1A1 1071/4885GAA 2177/4885LMNA 4603/4885

“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.