SCHEMBL4748727

SCHEMBL4748727

O=C(NNc1ccccc1)c1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
PTGS2 P35354 2/20 0.51
MAPK14 Q16539 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4A O75164 1/20 0.46
KDM4B O94953 1/20 0.46
KDM5C P41229 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 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
SCHEMBL4893253 0.86 NPC1 (0.71) NPC1RAB9ALMNAPOLBPTGS2
SCHEMBL4749020 0.85 HDAC6 (0.66) NPC1LMNAPOLBPTGS2HDAC8
SCHEMBL14005156 0.83 VNN1 (0.52) NPC1RAB9ALMNAPTGS2L3MBTL1
SCHEMBL14004928 0.81 PTGS2 (0.49) NPC1RAB9ALMNAPOLBPTGS2
SCHEMBL4744989 0.80 HDAC6 (0.59) HDAC8HDAC6SMN1; SMN2ALDH1A1KDM4A
SCHEMBL29490421 0.79 PARP10 (0.57) NPC1RAB9ALMNAPOLBMAPK14
SCHEMBL14004929 0.78 ESR1 (0.51) NPC1LMNAPOLBPTGS2HDAC8
SCHEMBL4744575 0.78 L3MBTL1 (0.48) NPC1RAB9ALMNAPOLBPTGS2
SCHEMBL3314110 0.78 L3MBTL1 (0.62) POLBL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL29860055 0.78 L3MBTL1 (0.62) POLBL3MBTL1SMN1; SMN2MEN1KMT2A

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 NPC1 363/4885RAB9A 1363/4885LMNA 4687/4885

“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.