Sugi Predict

Sugi Predict / Compounds / SCHEMBL6208366

SCHEMBL6208366

SCHEMBL6208366

Cc1cc(Oc2ccc([N+](=O)[O-])cn2)ccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 2/20 0.60
▸ MAPT P10636 4/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ GAA P10253 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ RAB9A P51151 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ PPARG P37231 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
SCHEMBL22529936 0.88 HSPB1 (0.59) HSPB1MAPTNPSR1ALDH1A1TDP1
SCHEMBL29351818 0.88 HSPB1 (0.59) HSPB1MAPTNPSR1ALDH1A1TDP1
SCHEMBL26151031 0.87 HSPB1 (0.65) HSPB1MAPTNPSR1ALDH1A1TDP1
SCHEMBL12595066 0.84 HTT (0.58) HSPB1MAPTNPSR1ALDH1A1TDP1
SCHEMBL12595069 0.84 HSPB1 (0.60) HSPB1MAPTNPSR1ALDH1A1TDP1
SCHEMBL23926985 0.83 HSPB1 (0.59) HSPB1MAPTNPSR1ALDH1A1TDP1
SCHEMBL30079719 0.83 HSPB1 (0.59) HSPB1MAPTNPSR1ALDH1A1TDP1
SCHEMBL2455977 0.83 HSPB1 (0.67) HSPB1MAPTNPSR1ALDH1A1TDP1
SCHEMBL2450899 0.83 HSPB1 (0.59) HSPB1MAPTNPSR1ALDH1A1TDP1
SCHEMBL22530057 0.82 HSPB1 (0.55) HSPB1MAPTNPSR1ALDH1A1TDP1

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-1501833-B1 N-SUBSTITUTED-HETEROARYLOXY-ARYL-SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-02 — — EP disclosed
US-6900201-B2 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. (US) 2005-05-31 — — US disclosed
EP-1501833-A1 N-SUBSTITUTED-HETEROARYLOXY-ARYL-SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2005-02-02 — — EP disclosed
US-20040010141-A1 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER INC. 2004-01-15 — — US disclosed
WO-2003091258-A1 N-SUBSTITUTED-HETEROARYLOXY-ARYL-SPIRO-PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE 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-20040010141-A1 N-substituted-heteroaryloxy-aryl-spiro-pyrimidine-2,4,6-trione metalloproteinase inhibitors MMP9, MMP8, MMP2 HSPB1 1770/4885MAPT 4657/4885NPSR1 1902/4885

“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.