SCHEMBL6496798

SCHEMBL6496798

O=C(Cc1ccccc1Br)N1CCCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FAAH O00519 9/20 0.56
MGLL Q99685 5/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
CCR8 P51685 1/20 0.50

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
SCHEMBL6507060 0.84 MEN1 (0.70) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6499049 0.83 KDM4E (0.60) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6497411 0.83 MEN1 (0.63) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6509473 0.82 KDM4E (0.65) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6498313 0.82 ALDH1A1 (0.65) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6497435 0.81 HRH3 (0.61) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6497241 0.81 KDM4E (0.58) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6505596 0.78 CCR8 (0.79) CCR8
SCHEMBL6495946 0.78 CCR8 (0.64) KDM4EALDH1A1GAAFAAHMGLL
SCHEMBL3644401 0.78 KDM4E (0.79) KDM4EALDH1A1LMNAGAASMN1; 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 1 patent. 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

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 KDM4E 4617/4885ALDH1A1 1071/4885LMNA 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.