SCHEMBL6702415

SCHEMBL6702415

Fc1ccc(CN2C=NC3=C(C=C(C#CCc4ccccc4)C3)C2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 3/20 0.33
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
MAPK14 Q16539 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL6696579 0.80 CLPP (0.33) CLPPSIGMAR1ALDH1A1HTTTP53
SCHEMBL6704368 0.75 ALDH1A1 (0.35) CLPPSIGMAR1ALDH1A1HTTMMP13
SCHEMBL6696585 0.73 CLPP (0.33) CLPPSIGMAR1ALDH1A1HTT
SCHEMBL6703987 0.73 CLPP (0.37) CLPPSIGMAR1ALDH1A1HTTTP53
SCHEMBL6700350 0.68 ALDH1A1 (0.32) CLPPALDH1A1HTT
SCHEMBL6818772 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6705178 0.66 ALDH1A1 (0.32) ALDH1A1HTT
SCHEMBL6696771 0.65 PTGER4 (0.45) CLPPSIGMAR1TP53
SCHEMBL6704891 0.65 MMP13 (0.42) CLPPALDH1A1MMP13
SCHEMBL6289380 0.63 SIGMAR1 (0.32) CLPPSIGMAR1ALDH1A1HTT

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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 CLPP 3282/4885SIGMAR1 4366/4885ALDH1A1 221/4885

“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.