SCHEMBL5485249

SCHEMBL5485249

O=CC(=NO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ CYP2C19 P33261 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ TSHR P16473 4/20 0.40
▸ CES1 P23141 3/20 0.40
▸ CES2 O00748 2/20 0.40
▸ DAO P14920 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA2 P00918 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CA4 P22748 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CA12 O43570 2/20 0.37

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
SCHEMBL4452290 0.79 KDM1A (0.42) ALDH1A1CYP2C19GAACES2MAPT
SCHEMBL29074086 0.78 AKR1C3 (0.57) ALDH1A1CYP2C19SMN1; SMN2MAPTKMT2A
SCHEMBL4862898 0.77 CES2 (0.44) ALDH1A1CES1CES2MAPTRAB9A
SCHEMBL5469786 0.77 CES2 (0.44) ALDH1A1MAPK1GAATSHRCES1
SCHEMBL5464455 0.77 ALDH1A1 (0.45) ALDH1A1TDP1MAPK1GAACES1
SCHEMBL7093240 0.77 KMT2A (0.48) ALDH1A1TDP1MAPK1CYP2C19TSHR
SCHEMBL12858417 0.76 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1CYP2C19GAA
SCHEMBL27910238 0.76 AKT1 (0.48) ALDH1A1TDP1MAPK1CYP2C19GAA
SCHEMBL6058836 0.76 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1CYP2C19GAA
SCHEMBL6058838 0.76 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276506-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-10-02 — — US 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 — — US 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-20060189620-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-08-24 — — US disclosed
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 — — EP 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
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 — — WO 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
EP-1144412-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-09-29 — — EP disclosed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 — — US disclosed
EP-1144412-A1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. Leuven Research & Development (BE) 2001-10-17 — — EP disclosed
WO-2000039129-A1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2000-07-06 — — WO disclosed
US-4032659-A ADMINISTERING THIOSEMICARBAZONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1977-06-28 — — US disclosed
US-4027039-A ADMINISTERING AMINOGUANIDINE, GUANIDINE, OR 1-(SEC-BUTYLIDENEAMINO)GUANIDINE AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-31 — — US disclosed
US-3980774-A HYDRAZINE AND HYDRAZINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-09-14 — — 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 (4 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-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 ALDH1A1 1257/4885TDP1 820/4885MAPK1 2381/4885
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF ALDH1A1 1733/4885TDP1 469/4885MAPK1 2887/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 ALDH1A1 1257/4885TDP1 820/4885MAPK1 2381/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 ALDH1A1 3134/4885TDP1 1505/4885MAPK1 2272/4885

“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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