SCHEMBL6498576

SCHEMBL6498576

Cn1c2c(c(=O)n(Cc3ccccc3)c1=O)CN(C(=O)OCc1cc3ccccc3s1)CC2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 5/20 0.41
CLPP Q16740 1/20 0.41
CXCR3 P49682 1/20 0.41
GAA P10253 1/20 0.40
HDAC10 Q969S8 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 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
SCHEMBL6528676 0.86 HDAC1 (0.54) TP53LMNAALDH1A1HDAC1HDAC6
SCHEMBL6487929 0.83 HDAC1 (0.42) TP53LMNAALDH1A1HDAC1HDAC6
SCHEMBL6489798 0.83 HDAC1 (0.47) TP53LMNAALDH1A1HDAC1HDAC6
SCHEMBL6488519 0.82 KDR (0.46) TP53LMNAALDH1A1HDAC1HDAC6
SCHEMBL6487407 0.82 CLPP (0.53) TP53HDAC1HDAC6MAPTCLPP
SCHEMBL6489979 0.82 HDAC1 (0.52) TP53LMNAALDH1A1HDAC1HDAC6
SCHEMBL6494740 0.81 HDAC1 (0.54) TP53LMNAALDH1A1HDAC1HDAC6
SCHEMBL6488384 0.81 HDAC1 (0.49) TP53LMNAALDH1A1HDAC1HDAC6
SCHEMBL6533092 0.81 HDAC1 (0.51) TP53LMNAALDH1A1HDAC1HDAC6
SCHEMBL6502433 0.80 CXCR3 (0.46) TP53LMNAHDAC1HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US disclosed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX 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-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 TP53 3469/4885LMNA 3536/4885ALDH1A1 1071/4885

“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.