SCHEMBL460472

SCHEMBL460472

[CH2]CCCn1cc(-c2ccc(CCCCC)cc2)nn1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
ATM Q13315 1/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
S1PR1 P21453 2/20 0.52
S1PR3 Q99500 1/20 0.52
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
HSD11B1 P28845 1/20 0.47
PTGS2 P35354 4/20 0.46
SPNS2 Q8IVW8 1/20 0.45
EP300 Q09472 2/20 0.44

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
SCHEMBL28567227 0.82 NPC1 (0.62) NPC1RAB9AATML3MBTL1MEN1
SCHEMBL28591483 0.79 NPC1 (0.81) NPC1RAB9AATML3MBTL1MEN1
SCHEMBL28563611 0.78 NPC1 (0.57) NPC1RAB9AATML3MBTL1MEN1
SCHEMBL5050408 0.77 NPC1 (0.67) NPC1RAB9AATML3MBTL1MEN1
SCHEMBL29966218 0.77 L3MBTL1 (0.54) NPC1RAB9AATML3MBTL1MEN1
SCHEMBL4551880 0.77 MEN1 (0.65) NPC1RAB9AATML3MBTL1MEN1
SCHEMBL18356776 0.76 NPC1 (0.64) NPC1RAB9AATML3MBTL1MEN1
SCHEMBL9991081 0.76 HDAC8 (0.60) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL5051923 0.75 HDAC3 (0.64) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL28231668 0.75 TLR8 (0.53) NPC1RAB9AATML3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
EP-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT NPC1 176/4885RAB9A 531/4885ATM 4673/4885

“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.