SCHEMBL461626

SCHEMBL461626

[CH2]CCCn1cc(Cn2cnc3cccnc32)nn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
EP300 Q09472 8/20 0.39
GLS O94925 1/20 0.35
CSF1R P07333 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
SCHEMBL460541 0.84 TDP1 (0.48)
SCHEMBL454840 0.80 MEN1 (0.47) MEN1TP53PABPC1KMT2ACSF1R
SCHEMBL4862100 0.74 MEN1 (0.49) MEN1TP53PABPC1KMT2ACSF1R
SCHEMBL462205 0.72 GLS (0.48) GLS
SCHEMBL27708062 0.70 MEN1 (0.51) MEN1TP53PABPC1KMT2ACSF1R
SCHEMBL461444 0.68 HDAC3 (0.60) TP53GLS
SCHEMBL5015508 0.67 MEN1 (0.51) MEN1TP53PABPC1KMT2ACSF1R
SCHEMBL4258800 0.66 MEN1 (0.47) MEN1TP53PABPC1KMT2ACSF1R
SCHEMBL4258804 0.66 MEN1 (0.47) MEN1TP53PABPC1KMT2ACSF1R
SCHEMBL10684276 0.65 MEN1 (0.49) MEN1TP53PABPC1KMT2ACSF1R

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 MEN1 2458/4885TP53 3179/4885PABPC1 3837/4885

“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.