Sugi Predict

Sugi Predict / Compounds / SCHEMBL6592844

SCHEMBL6592844

SCHEMBL6592844

O=c1nc(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc(C(F)(F)F)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.66
▸ ALDH1A1 P00352 6/20 0.66
▸ LMNA P02545 3/20 0.66
▸ TNF P01375 3/20 0.66
▸ NOD1 Q9Y239 3/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ HPGD P15428 2/20 0.66
▸ HTT P42858 2/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.66
▸ HSPA1A P0DMV8 1/20 0.66
▸ MEN1 O00255 9/20 0.63
▸ KMT2A Q03164 9/20 0.63
▸ KDM4E B2RXH2 5/20 0.63
▸ USP2 O75604 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ CRHBP P24387 2/20 0.63
▸ CRHR2 Q13324 2/20 0.63
▸ PSD A5PKW4 1/20 0.62
▸ POLB P06746 5/20 0.58
▸ RECQL P46063 2/20 0.58

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
SCHEMBL6592843 1.00 MAPT (0.66) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6592447 0.93 MAPT (0.69) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6592450 0.93 MAPT (0.69) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6593831 0.86 MEN1 (0.56) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6593826 0.86 MEN1 (0.56) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6594863 0.86 MEN1 (0.79) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6594860 0.86 MEN1 (0.79) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6596117 0.85 MAPT (0.76) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6596121 0.85 MAPT (0.76) MAPTALDH1A1LMNATNFNOD1
SCHEMBL6593283 0.85 MEN1 (0.55) MAPTALDH1A1LMNATNFNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716845-B2 Barbituric acid derivatives HOFFMANN-LA ROCHE INC. 2004-04-06 — — US claimed
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 — — WO claimed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 — — EP claimed
EP-1383746-A2 NEW PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-28 — — EP claimed
US-20020187991-A1 Barbituric acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-12-12 — — US claimed
WO-2002079170-A2 PYRIMIDINE-2,4,6-TRIONE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 — — WO claimed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 — — EP 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-20020187991-A1 Barbituric acid derivatives GABBR1, GABBR2, TUBB6 MAPT 2414/4885ALDH1A1 159/4885LMNA 4419/4885

“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.