SCHEMBL454811

SCHEMBL454811

[NH]CCCn1nnc(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
USP2 O75604 2/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL23625644 0.89 RAB9A (0.65) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL23625631 0.87 RAB9A (0.62) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL454100 0.83 LTA4H (0.62) CYP2D6ALDH1A1
SCHEMBL454812 0.83 LTA4H (0.61) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL4411938 0.83 RAB9A (0.57) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL4403796 0.81 RAB9A (0.56) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL26717815 0.80 TRPV1 (0.56) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL4404394 0.80 TRPV1 (0.56) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL457699 0.80 RAB9A (0.50) RAB9AL3MBTL1USP2TSHRALDH1A1
SCHEMBL4405908 0.79 RAB9A (0.61) RAB9AL3MBTL1CYP1A2CYP2D6CYP2C19

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 RAB9A 531/4885L3MBTL1 141/4885CYP1A2 1926/4885

“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.