SCHEMBL461897

SCHEMBL461897

[CH2]CCCn1cc(Cc2cccc(N)n2)nn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 10/20 0.40
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
EP300 Q09472 2/20 0.35
HSP90AB1 P08238 3/20 0.35
APP P05067 1/20 0.34
BACE1 P56817 1/20 0.34
MPO P05164 1/20 0.34

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) HRH4HRH3HSP90AB1
SCHEMBL453620 0.78 HDAC3 (0.38) EP300
SCHEMBL462628 0.77 HRH4 (0.44) NCF1HRH4HRH3HSP90AB1MPO
SCHEMBL27088132 0.68 MAOA (0.39) NCF1HRH4HRH3HSP90AB1
SCHEMBL455751 0.68 GPR84 (0.49) HRH4HRH3
SCHEMBL462931 0.67 CYP19A1 (0.43) NCF1HSP90AB1
SCHEMBL460447 0.66 TEK (0.55)
SCHEMBL317261 0.65
SCHEMBL28174204 0.64 NOTUM (0.43) HRH4HRH3HSP90AB1
SCHEMBL12594675 0.63 HRH4 (0.54) HRH4HRH3EP300MPO

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 NCF1 2526/4885HRH4 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.