SCHEMBL4452290

SCHEMBL4452290

O=CC(=NO)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.42
▸ MAPT P10636 5/20 0.42
▸ ESR1 P03372 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ ESR2 Q92731 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ NQO2 P16083 1/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ ALDH5A1 P51649 2/20 0.41
▸ ABAT P80404 2/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA3 P07451 2/20 0.41
▸ TYR P14679 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41

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
SCHEMBL4862898 0.80 CES2 (0.44) MAPTLMNAHTTHPGDCA1
SCHEMBL5464455 0.80 ALDH1A1 (0.45) MAPTLMNAHTTHPGDPKM
SCHEMBL5469786 0.80 CES2 (0.44) MAPTLMNACA1CA2HSD17B10
SCHEMBL5464534 0.80 CES2 (0.44) MAPTLMNACA1CA2KMT2A
SCHEMBL5485249 0.79 ALDH1A1 (0.50) MAPTLMNAHTTHPGDCA1
SCHEMBL29155533 0.77 KDM1A (0.42) KDM1AMAPTESR1LMNAESR2
SCHEMBL11381140 0.75 ALDH1A1 (0.48) MAPTHTTHPGDPKMCYP2C9
SCHEMBL11388311 0.75 HDAC1 (0.46) MAPTLMNAHTTHPGDCA1
SCHEMBL11418455 0.72 MAPT (0.43) KDM1AMAPTESR1LMNAESR2
SCHEMBL5269657 0.71 ALDH1A1 (0.50) MAPTLMNAHTTHPGDCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 — — US disclosed
EP-1658081-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA IP NV (BE) 2007-10-24 — — EP disclosed
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 — — EP disclosed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 — — US disclosed
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-12-21 — — US disclosed
EP-1663244-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-ALPHA-RELATED DISEASES. 4 AZA Bioscience nv (BE) 2006-06-07 — — EP disclosed
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 — — EP disclosed
WO-2005025574-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-α-RELATED DISEASES. 4 AZA BIOSCIENCE NV (BE) 2005-03-24 — — WO disclosed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 — — 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 (2 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-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 KDM1A 1923/4885MAPT 1684/4885ESR1 4205/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 KDM1A 3675/4885MAPT 2410/4885ESR1 2529/4885

“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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