SCHEMBL6793693

SCHEMBL6793693

COc1ccc(-c2ccc(C(O)C3NC(=O)NC3=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
TP53 P04637 1/20 0.39
ALOX5 P09917 1/20 0.39
HSD17B2 P37059 1/20 0.38
ESR2 Q92731 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.37
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 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
SCHEMBL6798684 0.82 HSD17B2 (0.40) ALDH1A1HSD17B2FFAR1GAA
SCHEMBL6798968 0.82 HSD17B2 (0.40) ALDH1A1HSD17B2FFAR1GAA
SCHEMBL6786610 0.82 HSD17B2 (0.40) ALDH1A1HSD17B2FFAR1GAA
SCHEMBL6800602 0.81 TDP1 (0.45) ALDH1A1HSD17B2FFAR1GAA
SCHEMBL6792155 0.79 SRD5A2 (0.43) LMNAMMP2MMP9MMP8
SCHEMBL6703573 0.78 TOP2A (0.39) ALDH1A1MMP2MMP9MMP8TP53
SCHEMBL6703699 0.76 BACE1 (0.32)
SCHEMBL10620249 0.76 ALDH1A1 (0.41) LMNAALDH1A1KDM4EHSD17B2GAA
SCHEMBL6825017 0.74 S1PR3 (0.37)
SCHEMBL6791466 0.73 PTPRC (0.41) ALDH1A1KDM4EHSD17B2KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (2 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 LMNA 1493/4885ALDH1A1 294/4885KDM4E 2088/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 LMNA 2465/4885ALDH1A1 1250/4885KDM4E 2227/4885

“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.