SCHEMBL454100

SCHEMBL454100

[NH]CCCn1nnc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.62
KCNH2 Q12809 2/20 0.62
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL454811 0.83 RAB9A (0.57) CYP2D6ALDH1A1
SCHEMBL457699 0.77 RAB9A (0.50) KMT2AALDH1A1MAPT
SCHEMBL30006219 0.77 LTA4H (0.76) LTA4HKCNH2CYP2D6CYP2C9
SCHEMBL20364003 0.73 LTA4H (1.00) LTA4HKCNH2CYP2D6CYP2C9
SCHEMBL23625644 0.72 RAB9A (0.65) CYP2D6ALDH1A1
SCHEMBL2611134 0.72 KMT2A (0.54) LTA4HKCNH2CYP2D6CYP2C9KMT2A
SCHEMBL23625631 0.70 RAB9A (0.62) CYP2D6ALDH1A1
SCHEMBL10737792 0.70 KMT2A (0.52) LTA4HKCNH2CYP2D6CYP2C9KMT2A
SCHEMBL30567502 0.70 KMT2A (0.52) LTA4HKCNH2CYP2D6CYP2C9KMT2A
SCHEMBL17978449 0.68 LMNA (0.71) LTA4HKCNH2CYP2D6CYP2C9KMT2A

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 LTA4H 501/4885KCNH2 78/4885CYP2D6 406/4885

“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.