SCHEMBL6700329

SCHEMBL6700329

CN1C(=O)N(Cc2ccc(F)c(F)c2)Cc2cc(C(=O)O)sc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 5/20 0.35
MAPK1 P28482 1/20 0.35
NTRK1 P04629 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTT P42858 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
SCHEMBL6705194 0.85 SMN1; SMN2 (0.47) ALDH1A1
SCHEMBL6700986 0.79 MAPK1 (0.36) ALDH1A1TSHRL3MBTL1MAPK1
SCHEMBL6697984 0.78 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1MAPK1SIGMAR1
SCHEMBL6696647 0.78 CLPP (0.35) MAPK1NTRK1SIGMAR1
SCHEMBL6700612 0.76 MAPK1 (0.31) ALDH1A1MAPK1HTT
SCHEMBL6702121 0.74 ABCB1 (0.34) ALDH1A1MAPK1
SCHEMBL6704025 0.70 SCD (0.44) L3MBTL1
SCHEMBL6703428 0.70 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1MAPK1NTRK1
SCHEMBL6292698 0.70 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1NOTUM
SCHEMBL6700558 0.69 ALDH1A1 (0.36) ALDH1A1TSHRL3MBTL1NOTUMSIGMAR1

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-20040265370-A1 Beads, pellets, tablets, capsules, and granules; high speed, sustained-release, or delayed drug delivery; enteric coating, base INTELLIPHARMACEUTICS CORP (CA) 2004-12-30 US claimed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 ALDH1A1 221/4885TSHR 4387/4885L3MBTL1 2759/4885

“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.