SCHEMBL2894531

SCHEMBL2894531

CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)NC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.72
▸ ELANE P08246 4/20 0.68
▸ CYP2C9 P11712 3/20 0.68
▸ ALDH1A1 P00352 8/20 0.66
▸ HTT P42858 2/20 0.66
▸ ATM Q13315 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CACNA1F O60840 2/20 0.50
▸ CACNA1D Q01668 2/20 0.50
▸ CACNA1S Q13698 2/20 0.50

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
SCHEMBL2892089 0.92 ELANE (0.74) MAPTELANECYP2C9ALDH1A1HTT
SCHEMBL4547759 0.92 ALDH1A1 (0.61) MAPTELANECYP2C9ALDH1A1HTT
SCHEMBL13412240 0.91 MAPT (0.82) MAPTELANECYP2C9ALDH1A1HTT
SCHEMBL392493 0.88 MAPT (0.84) MAPTALDH1A1HTTATMSMN1; SMN2
SCHEMBL13412241 0.84 MAPT (0.69) MAPTELANECYP2C9ALDH1A1HTT
SCHEMBL8050837 0.83 ELANE (0.79) MAPTELANECYP2C9ALDH1A1LMNA
SCHEMBL9914387 0.83 ELANE (0.79) MAPTELANECYP2C9ALDH1A1LMNA
SCHEMBL2888564 0.83 ELANE (0.79) MAPTELANECYP2C9ALDH1A1HTT
SCHEMBL2887923 0.83 ELANE (0.79) MAPTELANECYP2C9ALDH1A1LMNA
SCHEMBL13412239 0.82 MAPT (0.83) MAPTELANECYP2C9ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546113-B1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER IP GMBH (DE) 2013-05-01 — — EP disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 — — 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-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes PTGIS, PTGIR, FPR1 MAPT 4189/4885ELANE 59/4885CYP2C9 4171/4885

“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.

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