SCHEMBL6506745

SCHEMBL6506745

CCN(CCCNC(=O)Cc1cccs1)Cc1cccc(Oc2ccccc2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
HCRTR2 O43614 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
APP P05067 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL6498185 0.90 TSHR (0.49) HPGDALDH1A1TSHRSMN1; SMN2APP
SCHEMBL6500080 0.89 CCR8 (0.50) SMN1; SMN2APPKDM4EACHE
SCHEMBL6498806 0.88 ACHE (0.50) MEN1KMT2AAPPKDM4EACHE
SCHEMBL6496812 0.87 BCHE (0.55) KMT2ASMN1; SMN2APPPOLBACHE
SCHEMBL6499418 0.86 APP (0.46) HCRTR2APPRAB9AACHE
SCHEMBL6507435 0.85 RAB9A (0.49) HPGDMEN1KMT2AALDH1A1TSHR
SCHEMBL6498983 0.84 APP (0.49) KMT2AAPPPOLBACHE
SCHEMBL6508928 0.84 GAA (0.62) HPGDAPPPOLBKDM4EACHE
SCHEMBL6500361 0.80 APP (0.47) APPACHE
SCHEMBL6505243 0.80 ACHE (0.51) MEN1KMT2AAPPNPC1RAB9A

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 ATM 4854/4885HCRTR2 287/4885HPGD 761/4885

“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.