SCHEMBL6678863

SCHEMBL6678863

CCNC(=O)Nc1ccc(Cn2c(=O)c3c(n(C)c2=O)NC=C(C(=O)O)S3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 1/20 0.39
ALDH1A1 P00352 3/20 0.33
ABCB1 P08183 1/20 0.33
ERCC5 P28715 1/20 0.33
GHSR Q92847 1/20 0.33
HDAC1 Q13547 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
PARG Q86W56 2/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP1 O94782 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GNRHR P30968 1/20 0.32

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
SCHEMBL6678512 0.83 SMN1; SMN2 (0.45) ALDH1A1RAB9APKMLMNAMMP13
SCHEMBL6681175 0.81 ALDH1A1 (0.41) MTHFD2ALDH1A1ABCB1GHSRHDAC1
SCHEMBL6679666 0.79 MTHFD2 (0.38) MTHFD2ALDH1A1ABCB1ERCC5GHSR
SCHEMBL6791261 0.74 TRPA1 (0.54) ALDH1A1MAPTLMNAKDM4ETRPA1
SCHEMBL7062549 0.73 ALDH1A1 (0.40) MTHFD2ALDH1A1ABCB1HDAC1NPC1
SCHEMBL7058877 0.72 ALDH1A1 (0.39) MTHFD2ALDH1A1ABCB1GHSRHDAC1
SCHEMBL6679546 0.70 TRPA1 (0.43) ALDH1A1NPSR1LMNAKDM4EHSD17B10
SCHEMBL6685134 0.70 MAPT (0.49) ALDH1A1TP53RAB9AMAPTKDM4E
SCHEMBL6679503 0.69 TRPA1 (0.42) ALDH1A1TP53POLBMAPTNPSR1
SCHEMBL6682685 0.69 TRPA1 (0.35) MTHFD2ALDH1A1ABCB1ERCC5GHSR

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 MTHFD2 551/4885ALDH1A1 812/4885ABCB1 624/4885

“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.