SCHEMBL6679546

SCHEMBL6679546

Cn1c2c(c(=O)n(Cc3ccc(C#N)cc3)c1=O)SC(C(=O)NCc1ccc(F)cc1)=CN2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PRKAA2 P54646 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
CXCR3 P49682 1/20 0.37
EPHX2 P34913 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6791261 0.89 TRPA1 (0.54) TRPA1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL6679503 0.86 TRPA1 (0.42) TRPA1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6681822 0.85 KDM4E (0.40) KDM4ELMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL7114826 0.81 TRPA1 (0.40) TRPA1KLKB1KLK1KDM4ELMNA
SCHEMBL6789742 0.80 LMNA (0.40) TRPA1KLKB1KLK1KDM4ELMNA
SCHEMBL6678562 0.74 L3MBTL1 (0.42) TRPA1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6685134 0.74 MAPT (0.49) KDM4EHTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL7114889 0.73 ALDH1A1 (0.39) TRPA1KLKB1KLK1KDM4ELMNA
SCHEMBL6678512 0.72 SMN1; SMN2 (0.45) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5957526 0.72 TRPA1 (0.80) TRPA1KLKB1KLK1PRKAA2MEN1

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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors ROARK WILLIAM HOWARD (US) 2004-11-11 US disclosed
WO-2004014921-A1 5,6-FUSED URACIL 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-20040224951-A1 5,6-Fused uracil derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 TRPA1 4726/4885KLKB1 3434/4885KLK1 2701/4885

“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.