SCHEMBL460541

SCHEMBL460541

[CH2]CCCn1cc(Cn2cnc3ccccc32)nn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
TNF P01375 1/20 0.47
PKM P14618 7/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 1/20 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
SCHEMBL461626 0.84 MEN1 (0.43)
SCHEMBL293155 0.78 TDP1 (0.72) TDP1CYP11B1CYP11B2TNFPKM
SCHEMBL293066 0.73 TDP1 (0.70) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL294217 0.72 TDP1 (0.68) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL511080 0.71 TDP1 (0.78) TDP1CYP11B1CYP11B2TNFPKM
SCHEMBL462205 0.70 GLS (0.48)
SCHEMBL4313381 0.70 CYP11B1 (0.62) TDP1CYP11B1CYP11B2TNFPKM
SCHEMBL30150452 0.70 TDP1 (0.81) TDP1CYP11B1CYP11B2TNFLMNA
SCHEMBL12841561 0.69 CYP11B1 (0.46) TDP1CYP11B1CYP11B2TNFPKM
SCHEMBL3161153 0.68 TDP1 (0.84) TDP1CYP11B1CYP11B2TNFLMNA

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 TDP1 3889/4885CYP11B1 1330/4885CYP11B2 1539/4885

“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.