SCHEMBL5576053

SCHEMBL5576053

O=C1N(c2nccs2)CC(c2ccccc2)N1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 1/20 0.38
NSD3 Q9BZ95 1/20 0.37
CCR5 P51681 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
TNKS O95271 1/20 0.36
SLC11A2 P49281 1/20 0.35
SCN9A Q15858 1/20 0.35
UBE2I P63279 1/20 0.34
SAE1 Q9UBE0 1/20 0.34

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
SCHEMBL5576048 1.00 L3MBTL1 (0.44) L3MBTL1KDM4CALDH1A1KDM4EPPARG
SCHEMBL5573930 0.83 CCR5 (0.41) ALDH1A1MAPTNSD3CCR5TDP1
SCHEMBL5573927 0.83 CCR5 (0.41) ALDH1A1MAPTNSD3CCR5TDP1
SCHEMBL5575431 0.81 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10NSD3CCR5
SCHEMBL5575418 0.81 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10NSD3CCR5
SCHEMBL4611139 0.80 USP30 (0.49) L3MBTL1KDM4CALDH1A1KDM4EMAPT
SCHEMBL4611146 0.80 USP30 (0.49) L3MBTL1KDM4CALDH1A1KDM4EMAPT
SCHEMBL4608568 0.75 FADS1 (0.40) MAPTNSD3CCR5RECQLMEN1
SCHEMBL4608571 0.75 FADS1 (0.40) MAPTNSD3CCR5RECQLMEN1
SCHEMBL4598041 0.74 SLC18A3 (0.39) NSD3CCR5MEN1KMT2A

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
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 L3MBTL1 3305/4885KDM4C 3646/4885ALDH1A1 3484/4885

“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.