SCHEMBL6906222

SCHEMBL6906222

C=CCC(C=C)NC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
MAPT P10636 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
ALDH1A1 P00352 2/20 0.31
FGFR4 P22455 1/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 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
SCHEMBL11632114 0.80
SCHEMBL21667349 0.80
SCHEMBL27992132 0.80 TSHR (0.35) TSHRSMN1; SMN2GRIK1GRIK2MAPT
SCHEMBL1077419 0.78 TSHR (0.46) TSHRSMN1; SMN2GRIK1GRIK2MAPT
SCHEMBL22750295 0.74 TGFBR1 (0.43) TSHRSMN1; SMN2
SCHEMBL7535185 0.70 DDAH1 (0.31) ALDH1A1
SCHEMBL8956995 0.69 TSHR (0.38) TSHRALDH1A1FGFR4
SCHEMBL170265 0.67
SCHEMBL4243337 0.67
SCHEMBL16792799 0.67 CTSK (0.36)

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
CN-1509274-A Metallo proteinase inhibitors 2004-06-30 CN claimed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US claimed
CN-1509274-A Metallo proteinase inhibitors 2004-06-30 CN disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 TSHR 3771/4885SMN1; SMN2 3091/4885GRIK1 2263/4885

“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.