SCHEMBL5124111

SCHEMBL5124111

Cc1c(F)ccc2c1c(=O)oc(=O)n2-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
SLC11A2 P49281 1/20 0.35
MAT2A P31153 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
VHL P40337 1/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11298609 0.69 MKNK1 (0.48) SMN1; SMN2POLBEP300KAT2BALDH1A1
SCHEMBL14446911 0.64 SMN1; SMN2 (0.50) SMN1; SMN2POLBCYP1A2SLC11A2EP300
SCHEMBL12661008 0.63 EP300 (0.53) SMN1; SMN2POLBSLC11A2EP300KAT2B
SCHEMBL28379997 0.62 SMN1; SMN2 (0.55) SMN1; SMN2POLBSLC11A2EP300KAT2B
SCHEMBL30356365 0.61 KMT2A (0.44) SMN1; SMN2POLBSLC11A2MAT2AALDH1A1
SCHEMBL10027622 0.61 POLB (0.43) SMN1; SMN2POLBMAT2AEP300KAT2B
SCHEMBL4675341 0.61 SMN1; SMN2 (0.53) SMN1; SMN2POLBEP300KAT2BPDCD1
SCHEMBL30436933 0.61 SMN1; SMN2 (0.53) SMN1; SMN2POLBEP300KAT2BPDCD1
SCHEMBL14446902 0.61 SMN1; SMN2 (0.50) SMN1; SMN2POLBCYP1A2SLC11A2EP300
SCHEMBL30174279 0.61 MAPK14 (0.52) SMN1; SMN2POLBSLC11A2PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 SMN1; SMN2 2010/4885POLB 1737/4885CYP1A2 3236/4885

“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.