SCHEMBL457730

SCHEMBL457730

[CH2]CCCn1ccc(Cc2ccccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
GLS O94925 1/20 0.34
HRH1 P35367 2/20 0.34
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL462205 0.79 GLS (0.48) HRH3HRH4GLS
SCHEMBL453856 0.75 CYP11B1 (0.38) L3MBTL1HRH3HRH4HRH1CYP1A2
SCHEMBL41191 0.71 L3MBTL1 (0.59) L3MBTL1HRH3HRH4HRH1LMNA
SCHEMBL29830938 0.71 L3MBTL1 (0.59) L3MBTL1HRH3HRH4HRH1LMNA
Bromide SCHEMBL6114859 0.69 L3MBTL1 (0.57) L3MBTL1HRH3HRH4HRH1LMNA
Hydrochloric Acid SCHEMBL10884973 0.69 L3MBTL1 (0.57) L3MBTL1HRH3HRH4HRH1LMNA
SCHEMBL4938201 0.69 L3MBTL1 (0.57) L3MBTL1HRH3HRH4HRH1LMNA
SCHEMBL29715188 0.69 L3MBTL1 (0.57) L3MBTL1HRH3HRH4HRH1LMNA
Ammonia Solution, Strong SCHEMBL6176560 0.69 L3MBTL1 (0.57) L3MBTL1HRH3HRH4HRH1LMNA
SCHEMBL4938207 0.69 L3MBTL1 (0.57) L3MBTL1HRH3HRH4HRH1LMNA

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 L3MBTL1 141/4885HRH3 4079/4885HRH4 3514/4885

“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.