SCHEMBL6662621

SCHEMBL6662621

O=C(O)C1=Cc2c([nH]c(=O)n(Cc3ccccc3)c2=O)SC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.40
LIPG Q9Y5X9 1/20 0.38
CYP3A4 P08684 1/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
USP2 O75604 1/20 0.37
MAPK10 P53779 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PNP P00491 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6678771 0.86 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNA
SCHEMBL6685457 0.83 ABCB1 (0.35) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL6679496 0.79 MMP1 (0.46) ALDH1A1KDM4ESMN1; SMN2LMNAUSP2
SCHEMBL6682847 0.78 MAPT (0.47) ALDH1A1HPGDKDM4EUSP2
SCHEMBL6679185 0.76 SMN1; SMN2 (0.45) ALDH1A1HPGDSMN1; SMN2LMNACYP3A4
SCHEMBL7061509 0.76 HPGD (0.43) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL6685031 0.76 HPGD (0.43) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL6678347 0.76 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL10963471 0.65 ALDH1A1 (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL6681995 0.65 SMN1; SMN2 (0.48) ALDH1A1HPGDKDM4ESMN1; SMN2LMNA

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 ALDH1A1 812/4885HPGD 877/4885KDM4E 819/4885

“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.