SCHEMBL5147564

SCHEMBL5147564

Cn1ncc(CCCN2C(=O)c3ccccc3C2=O)c1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CHRM2 P08172 2/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44

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
SCHEMBL31439759 0.81 TDP1 (0.46) TDP1CYP1A2CYP2C19NPC1CYP3A4
SCHEMBL11211441 0.76 MAPT (0.55) TDP1MAPTCYP1A2CYP2C19NPC1
SCHEMBL31439900 0.75 TDP1 (0.46) TDP1MAPTCYP1A2CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL11208518 0.75 MAPT (0.54) TDP1MAPTCYP1A2CYP2C19NPC1
SCHEMBL31439980 0.73 TDP1 (0.43) TDP1CYP1A2CYP2C19L3MBTL1MEN1
SCHEMBL31439835 0.72 TDP1 (0.49) TDP1CYP1A2CYP2C19L3MBTL1MEN1
SCHEMBL27625407 0.72 GABRP (0.38) MAPTSMN1; SMN2TLR8
SCHEMBL31281939 0.72 TDP1 (0.59) TDP1MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL18396500 0.72 TDP1 (0.59) TDP1MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL31439804 0.71 ALDH1A1 (0.45) CYP1A2CYP2C19RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179801-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-02-20 US disclosed
EP-1392704-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2006-02-22 EP disclosed
US-20040248875-A1 Cephem compounds ASTELLAS PHARMA INC. (JP) 2004-12-09 US 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-20040248875-A1 Cephem compounds CEP170, C1S, SLC7A1 TDP1 2890/4885MAPT 2914/4885CYP1A2 228/4885

“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.