SCHEMBL6180876

SCHEMBL6180876

COc1ccc(Oc2ccc([N+](=O)[O-])c(C)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.52
ALDH1A1 P00352 8/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 3/20 0.48
HTR7 P34969 1/20 0.48
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
RAF1 P04049 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL1897174 0.90 ALDH1A1 (0.57) ALDH1A1HTTMAPTL3MBTL1POLB
SCHEMBL30382526 0.90 ALDH1A1 (0.57) ALDH1A1HTTMAPTL3MBTL1POLB
SCHEMBL6567485 0.89 PIN1 (0.52) ALDH1A1HTTMAPTL3MBTL1KMT2A
SCHEMBL2538774 0.88 TSHR (0.52) ALDH1A1HTTMAPTL3MBTL1KMT2A
SCHEMBL30970189 0.88 MAPT (0.52) ALDH1A1HTTMAPTL3MBTL1KMT2A
SCHEMBL443483 0.87 HSD17B10 (0.52) ALDH1A1HTTMAPTL3MBTL1KMT2A
SCHEMBL30072571 0.87 HSD17B10 (0.52) ALDH1A1HTTMAPTL3MBTL1KMT2A
SCHEMBL14363505 0.86 ALDH1A1 (0.55) ALDH1A1HTTMAPTL3MBTL1KMT2A
SCHEMBL7862606 0.85 PDE7A (0.49) MERTKALDH1A1HTTMAPTL3MBTL1
SCHEMBL2531644 0.85 HSPB1 (0.57) ALDH1A1HTTMAPTL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919332-B2 N-substituted-heteroaryloxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-07-19 US disclosed
EP-1507535-A1 PYRIMIDINE-2,4,6-TRIONE METALLO-PROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-23 EP disclosed
US-20030232849-A1 N-substituted-heteroaryloxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2003-12-18 US disclosed
WO-2003090751-A1 PYRIMIDINE-2, 4, 6-TRIONE METALLO-PROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2003-11-06 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-20030232849-A1 N-substituted-heteroaryloxy-aryloxy-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP8, MMP9, MMP1 MERTK 3651/4885ALDH1A1 390/4885HTT 4677/4885

“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.