SCHEMBL4197958

SCHEMBL4197958

Nc1cc(=O)n(-c2ccccc2)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.54
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
PDE4A P27815 7/20 0.49
PDE4B Q07343 6/20 0.49
PDE4C Q08493 6/20 0.49
PDE4D Q08499 6/20 0.49
LDHA P00338 1/20 0.47
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
LOXL3 P58215 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
KAT2B Q92831 1/20 0.40
REN P00797 1/20 0.40
OPRD1 P41143 1/20 0.39

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
SCHEMBL2409501 0.82 FEN1 (0.57) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL8691780 0.81 ALDH1A1 (0.58) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL7272179 0.77 FEN1 (0.58) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL3516135 0.76 FEN1 (0.46) FEN1CYP2C19PDE4ALDHAKDM4E
SCHEMBL11056945 0.74 CDK4 (0.51) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL13407862 0.74 FEN1 (0.49) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL17490150 0.74 FEN1 (0.48) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9800214 0.73 FEN1 (0.45) FEN1ALDH1A1TSHRCYP2C19PDE4A
SCHEMBL9767610 0.73 CA12 (0.45) FEN1ALDH1A1TSHRCYP2C19PDE4A
Hydrochloric Acid SCHEMBL10722765 0.73 CDK4 (0.50) FEN1ALDH1A1TSHRCYP2C19PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613318-A4 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORP (US) 2009-03-11 EP claimed
US-20060094714-A1 Compounds and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-04 US claimed
EP-1613318-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-01-11 EP claimed
WO-2004087880-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-10-14 WO claimed
EP-1613318-A4 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORP (US) 2009-03-11 EP disclosed
US-20060094714-A1 Compounds and their use to treat diabetes and related disorders BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-04 US disclosed
EP-1613318-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS Bayer Pharmaceuticals Corporation (US) 2006-01-11 EP disclosed
WO-2004087880-A2 COMPOUNDS AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-10-14 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-20060094714-A1 Compounds and their use to treat diabetes and related disorders IAPP, SLC5A2, SLC5A1 FEN1 4648/4885ALDH1A1 426/4885TSHR 3636/4885

“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.