SCHEMBL6876881

SCHEMBL6876881

O=CC=Cc1ccc(-c2nnco2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.51
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
TLR8 Q9NR97 1/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 2/20 0.41
TRPA1 O75762 1/20 0.41
ALOX5 P09917 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6876871 1.00 NOTUM (0.51) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL6851980 0.82 NOTUM (0.58) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL6854287 0.79 NOTUM (0.55) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL17694561 0.78 NOTUM (0.78) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL6852297 0.75 NOTUM (0.50) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL6852304 0.75 NOTUM (0.50) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL2610163 0.75 NOTUM (0.75) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL27920486 0.75 NOTUM (0.58) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL6852556 0.72 NOTUM (0.55) NOTUMALDH1A1KDM4ELMNAMAPT
SCHEMBL8505384 0.71 TP53 (0.50) NOTUMALDH1A1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 NOTUM 2862/4885ALDH1A1 2109/4885KDM4E 18/4885

“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.