SCHEMBL2892089

SCHEMBL2892089

CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)NC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 13/20 0.74
▸ CYP2C9 P11712 8/20 0.74
▸ MAPT P10636 2/20 0.61
▸ ALDH1A1 P00352 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CYP3A4 P08684 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL2894531 0.92 MAPT (0.72) ELANECYP2C9MAPTALDH1A1HTT
SCHEMBL2897358 0.88 ELANE (0.72) ELANECYP2C9MAPTALDH1A1HTT
SCHEMBL9914387 0.87 ELANE (0.79) ELANECYP2C9MAPTALDH1A1CYP3A4
SCHEMBL8050837 0.87 ELANE (0.79) ELANECYP2C9MAPTALDH1A1CYP3A4
SCHEMBL2888564 0.87 ELANE (0.79) ELANECYP2C9MAPTALDH1A1HTT
SCHEMBL2887923 0.87 ELANE (0.79) ELANECYP2C9MAPTALDH1A1CYP3A4
SCHEMBL1764353 0.85 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL392232 0.85 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL3482731 0.85 ELANE (1.00) ELANECYP2C9CYP3A4ADRB1HTR1A
SCHEMBL13412241 0.85 MAPT (0.69) ELANECYP2C9MAPTALDH1A1HTT

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 ELANE 59/4885CYP2C9 4171/4885MAPT 4189/4885

“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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