SCHEMBL460447

SCHEMBL460447

[CH2]CCCn1cc(-c2cccc(N)c2)nn1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.55
KDR P35968 2/20 0.53
EPHB4 P54760 1/20 0.47
PRMT5 O14744 1/20 0.46
UCHL5 Q9Y5K5 1/20 0.46
HDAC8 Q9BY41 12/20 0.46
HDAC6 Q9UBN7 12/20 0.46
HDAC3 O15379 11/20 0.46
HDAC4 P56524 11/20 0.46
HDAC1 Q13547 11/20 0.46
HDAC7 Q8WUI4 11/20 0.46
HDAC2 Q92769 11/20 0.46
HDAC10 Q969S8 11/20 0.46
HDAC11 Q96DB2 11/20 0.46
HDAC9 Q9UKV0 11/20 0.46
HDAC5 Q9UQL6 11/20 0.46
NAMPT P43490 1/20 0.43
ALOX5 P09917 1/20 0.41

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
SCHEMBL16068165 0.86 TEK (0.53) TEKKDREPHB4PRMT5UCHL5
SCHEMBL14987759 0.83 TEK (0.55) TEKKDREPHB4PRMT5UCHL5
SCHEMBL16264699 0.80 TEK (0.57) TEKKDREPHB4PRMT5UCHL5
SCHEMBL30722374 0.80 TEK (0.57) TEKKDREPHB4PRMT5UCHL5
SCHEMBL28311174 0.80 TEK (0.55) TEKKDREPHB4PRMT5UCHL5
SCHEMBL16155356 0.79 HDAC3 (0.53) TEKKDRUCHL5HDAC8HDAC6
SCHEMBL19086277 0.79 HSP90AB1 (0.52) TEKKDRUCHL5HDAC8HDAC6
SCHEMBL16155169 0.78 HDAC3 (0.54) TEKKDRUCHL5HDAC8HDAC6
SCHEMBL5014475 0.77 NAMPT (0.68) TEKKDREPHB4HDAC8HDAC6
SCHEMBL16155361 0.77 HDAC3 (0.56) UCHL5HDAC8HDAC6HDAC3HDAC4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP claimed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US claimed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 WO claimed
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 TEK 2483/4885KDR 4612/4885EPHB4 4852/4885

“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.