SCHEMBL462931

SCHEMBL462931

[CH2]CCCn1cc(COc2c(Cl)cccc2Cl)nn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.43
HSP90AB1 P08238 1/20 0.41
NCF1 P14598 3/20 0.39
FFAR1 O14842 1/20 0.39
RXRA P19793 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38

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
SCHEMBL16323888 0.70 LMNA (0.41) CYP19A1FFAR1RXRAGRIN1GRIN2B
SCHEMBL462205 0.70 GLS (0.48) HSP90AB1
SCHEMBL8918948 0.69 KMT2A (0.46)
SCHEMBL8778511 0.68 KMT2A (0.44)
SCHEMBL461897 0.67 NCF1 (0.40) HSP90AB1NCF1
SCHEMBL462628 0.66 HRH4 (0.44) HSP90AB1NCF1
SCHEMBL31705380 0.65 ALDH1A1 (0.45) HSP90AB1FFAR1
SCHEMBL461444 0.65 HDAC3 (0.60)
SCHEMBL18504164 0.65 NCF1 (0.45) CYP19A1NCF1
SCHEMBL27088132 0.64 MAOA (0.39) HSP90AB1NCF1

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 CYP19A1 1086/4885HSP90AB1 491/4885NCF1 2526/4885

“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.