SCHEMBL453856

SCHEMBL453856

[CH2]CCCn1ccc(Cc2cccnc2)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP2A6 P11509 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP2 P08253 1/20 0.36
CHRNA7 P36544 1/20 0.36
HRH1 P35367 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP11B2 P19099 1/20 0.35
TBXAS1 P24557 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL457730 0.75 L3MBTL1 (0.36) HRH4HRH3CYP1A2L3MBTL1HRH1
SCHEMBL27487465 0.74 NAMPT (0.43) CYP2A6CYP1A2
SCHEMBL2093515 0.69 CYP2A6 (0.66) HRH4HRH3CYP2A6CYP1A2CYP2D6
SCHEMBL727185 0.68 CYP1A2 (0.62) CYP11B1HRH4HRH3CYP2A6CYP1A2
SCHEMBL2095573 0.68 TDP1 (0.67) HRH4HRH3CYP2A6CYP1A2CYP2D6
SCHEMBL27535692 0.67 CYP2A6 (0.44) CYP11B1CYP2A6CYP1A2CYP11B2
SCHEMBL8497495 0.66 HRH1 (0.68) HRH4HRH3CYP2A6CYP1A2CYP2D6
SCHEMBL16289025 0.66 HRH1 (0.68) HRH4HRH3CYP2A6CYP1A2CYP2D6
SCHEMBL2090566 0.66 HRH1 (0.68) HRH4HRH3CYP2A6CYP1A2CYP2D6
SCHEMBL16289588 0.66 HRH1 (0.68) HRH4HRH3CYP2A6CYP1A2CYP2D6

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 CYP11B1 1330/4885HRH4 3514/4885HRH3 4079/4885

“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.