SCHEMBL6086791

SCHEMBL6086791

CC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3n[nH]cc3-c3nc4cc(C)ccc4o3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
AGPAT2 O15120 3/20 0.50
PPARG P37231 6/20 0.48
PTGES O14684 2/20 0.47
MAPT P10636 4/20 0.45
PTGS2 P35354 1/20 0.44
BAZ1A Q9NRL2 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
SCHEMBL6085833 0.92 NPC1 (0.49) AGPAT2PPARGMAPTPTGS2
SCHEMBL6085609 0.84 MMP2 (0.60) MMP2MMP9MMP8MMP13AGPAT2
SCHEMBL6085949 0.80 AGPAT2 (0.66) MMP2MMP9MMP8MMP13AGPAT2
SCHEMBL6084843 0.80 PTGES (0.50) MMP2MMP9MMP8MMP13AGPAT2
SCHEMBL6087043 0.79 AGPAT2 (0.58) AGPAT2MAPT
SCHEMBL6086564 0.78 POLB (0.51) MMP2MMP9MMP8MMP13MAPT
SCHEMBL6085936 0.78 CETP (0.55) AGPAT2PTGESMAPT
SCHEMBL6085184 0.78 MAPT (0.58) MMP2MMP9MMP8MMP13AGPAT2
SCHEMBL6085509 0.77 SMN1; SMN2 (0.63) AGPAT2PPARGMAPT
SCHEMBL6084890 0.76 RAB9A (0.55) AGPAT2PTGESMAPT

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-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 US claimed
US-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US disclosed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP disclosed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 US 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-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors MAP3K15, MAP3K20, MAP3K3 MMP2 4420/4885MMP9 4396/4885MMP8 4218/4885

“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.