SCHEMBL4744575

SCHEMBL4744575

CC(=O)N(Cc1ccc(C(=O)NNc2ccccc2)cc1)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGS2 P35354 3/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 2/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
AGTR1 P30556 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 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
SCHEMBL14005299 0.87 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2MAPTHTTNPSR1
SCHEMBL14004928 0.85 PTGS2 (0.49) L3MBTL1SMN1; SMN2MAPTHTTNPSR1
SCHEMBL14004929 0.84 ESR1 (0.51) L3MBTL1SMN1; SMN2MAPTHTTNPSR1
SCHEMBL14005305 0.83 ALDH1A1 (0.50) L3MBTL1SMN1; SMN2MEN1KMT2APTGS2
SCHEMBL14005300 0.80 NAMPT (0.45) L3MBTL1SMN1; SMN2MAPTHTTNPSR1
SCHEMBL14005306 0.80 KMT2A (0.60) SMN1; SMN2MAPTKMT2AALDH1A1GAA
SCHEMBL14005295 0.78 HDAC1 (0.46) SMN1; SMN2MAPTPTGS2ALDH1A1GAA
SCHEMBL4748727 0.78 NPC1 (0.52) L3MBTL1SMN1; SMN2MEN1KMT2APTGS2
SCHEMBL2187238 0.78 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4893253 0.76 NPC1 (0.71) L3MBTL1SMN1; SMN2HTTMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 L3MBTL1 4465/4885SMN1; SMN2 4829/4885MAPT 4253/4885

“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.