SCHEMBL453732

SCHEMBL453732

[NH]CCCc1ccnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
NCF1 P14598 1/20 0.46
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FERMT2 Q96AC1 1/20 0.40
MAPT P10636 1/20 0.39
CYP19A1 P11511 1/20 0.39
TBXAS1 P24557 1/20 0.39
IDO1 P14902 1/20 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
SCHEMBL2331919 0.86 LOXL2 (0.62) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL2333461 0.86 LOXL2 (0.62) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL7599320 0.83 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL30665033 0.81 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL4870247 0.81 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL2237676 0.81 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL28182640 0.81 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL336172 0.81 LOXL2 (0.67) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL7358307 0.81 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL28145916 0.81 LOXL2 (0.56) LOXL2NCF1HTR1AADRA1DADRA1A

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 LOXL2 1901/4885NCF1 2526/4885HTR1A 4564/4885

“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.