SCHEMBL6501375

SCHEMBL6501375

COc1ccccc1Oc1cccc(CN2CCCN(C(=O)Cc3cccs3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MGLL Q99685 1/20 0.53
CCR8 P51685 7/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KCNH2 Q12809 4/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GFER P55789 1/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 2/20 0.47
FAAH O00519 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6505372 0.96 POLB (0.58) POLBTSHRSMN1; SMN2MGLLCCR8
SCHEMBL6497241 0.89 KDM4E (0.58) SMN1; SMN2MGLLCCR8KDM4EALDH1A1
SCHEMBL6495946 0.88 CCR8 (0.64) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6499179 0.87 MEN1 (0.67) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6499197 0.85 MEN1 (0.59) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6505465 0.85 CCR8 (0.58) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6509295 0.84 CCR8 (0.68) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6504122 0.83 MEN1 (0.72) MGLLCCR8MEN1KMT2AKCNH2
SCHEMBL6504971 0.83 MGLL (0.60) SMN1; SMN2MGLLCCR8MEN1KMT2A
SCHEMBL6500464 0.81 KMT2A (0.63) MGLLCCR8MEN1KMT2AKCNH2

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 POLB 3458/4885TSHR 3179/4885SMN1; SMN2 4743/4885

“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.