SCHEMBL6790247

SCHEMBL6790247

CC(=O)Nc1ccc(-c2ccc(C(O)C3(C)NC(=O)NC3=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CRBN Q96SW2 2/20 0.43
DDB1 Q16531 1/20 0.43
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
DHODH Q02127 2/20 0.39
CYP17A1 P05093 2/20 0.39
CYP3A4 P08684 2/20 0.38
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 3/20 0.37
PARP1 P09874 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL6791144 0.88 CYP17A1 (0.54) CRBNDDB1DHODHCYP17A1CYP3A4
SCHEMBL6791030 0.84 PARP1 (0.44) CRBNDHODHCYP17A1PARP1BRD4
SCHEMBL6791153 0.81 MMP2 (0.41) CYP3A4ALDH1A1MAPT
SCHEMBL6791227 0.81 MMP2 (0.41) CYP3A4ALDH1A1MAPT
SCHEMBL6790620 0.80 MMP2 (0.43) BRD4
SCHEMBL6795148 0.80 AKR1B1 (0.35) ERCC1ERCC4ALDH1A1POLB
SCHEMBL6791102 0.80 HSD17B10 (0.42) SMN1; SMN2HTTCYP3A4ALDH1A1MEN1
SCHEMBL6792387 0.77 MMP2 (0.45) CYP17A1MEN1KMT2A
SCHEMBL6793983 0.77 MMP2 (0.45) SMN1; SMN2CYP3A4ALDH1A1KMT2A
SCHEMBL6793331 0.77 CYP17A1 (0.43) SMN1; SMN2HTTCYP17A1CYP3A4ALDH1A1

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 SMN1; SMN2 3091/4885HTT 4695/4885L3MBTL1 3691/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 SMN1; SMN2 2809/4885HTT 4139/4885L3MBTL1 3113/4885

“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.