SCHEMBL6679503

SCHEMBL6679503

Cn1c2c(c(=O)n(Cc3ccc(F)c(F)c3)c1=O)SC(C(=O)NCc1ccc(F)cc1)=CN2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR7 P34969 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
S1PR3 Q99500 1/20 0.36
PDPK1 O15530 2/20 0.36
LIPG Q9Y5X9 1/20 0.36
MAPT P10636 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) TRPA1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6679546 0.86 TRPA1 (0.43) TRPA1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6680501 0.86 PTGS1 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL6790883 0.85 TP53 (0.36) KMT2AALDH1A1LMNATP53MAPT
SCHEMBL6788504 0.80 ALDH1A1 (0.39) TRPA1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6685134 0.76 MAPT (0.49) SMN1; SMN2ALDH1A1HPGDRXFP1TP53
SCHEMBL6678802 0.75 CMA1 (0.31) SMN1; SMN2
SCHEMBL6678562 0.74 L3MBTL1 (0.42) TRPA1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6678209 0.72 ALDH1A1 (0.38) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL7123002 0.72 ALDH1A1 (0.38) TRPA1MEN1KMT2AALDH1A1POLB

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 4726/4885SMN1; SMN2 682/4885MEN1 3549/4885

“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.