SCHEMBL6794517

SCHEMBL6794517

O=C1NC(=O)C(C(O)c2cccc(Oc3ccccc3)c2)N1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 1/20 0.40
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
AKR1C3 P42330 1/20 0.38
LMNA P02545 1/20 0.38
PDE1C Q14123 1/20 0.37
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NPY5R Q15761 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
FAAH O00519 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
SCHEMBL6792155 0.88 SRD5A2 (0.43) MAOAMAOBLMNAPPARGPPARD
SCHEMBL10620249 0.83 ALDH1A1 (0.41) LMNAHSD17B2ALDH1A1GAA
SCHEMBL6702888 0.78 HSD17B2 (0.41) MEN1KMT2AHSD17B2ALDH1A1
SCHEMBL6702754 0.75 CES2 (0.45) HSD17B2ALDH1A1
SCHEMBL6786610 0.75 HSD17B2 (0.40) HSD17B2ALDH1A1GAA
SCHEMBL6798968 0.75 HSD17B2 (0.40) HSD17B2ALDH1A1GAA
SCHEMBL6798684 0.75 HSD17B2 (0.40) HSD17B2ALDH1A1GAA
SCHEMBL9402134 0.71 PDE1C (0.53) MAOAMAOBLMNAPDE1CALDH1A1
SCHEMBL5597472 0.70 ALDH1A1 (0.40) ALDH1A1GAA
SCHEMBL9631581 0.69 PTGS1 (0.61) PTGS1MEN1CYP2D6KMT2AALOX5

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 PTGS1 81/4885MEN1 1710/4885CYP2D6 555/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 PTGS1 423/4885MEN1 1957/4885CYP2D6 200/4885

“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.