SCHEMBL4448757

SCHEMBL4448757

COc1ccc(C(C=O)=NO)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TSHR P16473 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
GAA P10253 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53

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
SCHEMBL5478335 0.88 MAPT (0.46) MAPTPOLBSMN1; SMN2TSHRCYP2C9
SCHEMBL4409525 0.88 TSHR (0.61) MAPTPOLBSMN1; SMN2TSHRCYP2C9
SCHEMBL30445656 0.83 GAA (0.54) MAPTPOLBSMN1; SMN2TSHRCYP2C9
SCHEMBL3655501 0.81 TUBB4A (0.48) MAPTPOLBCYP3A4GAAMEN1
SCHEMBL4281872 0.77 CYP1A2 (0.66) MAPTTSHRCYP2C9CYP2C19CYP1A2
Water SCHEMBL29060509 0.75 CYP1A2 (0.63) MAPTTSHRCYP2C9CYP2C19CYP1A2
Water SCHEMBL30477093 0.75 CYP1A2 (0.63) MAPTTSHRCYP2C9CYP2C19CYP1A2
SCHEMBL10674510 0.75 TSHR (0.58) MAPTPOLBSMN1; SMN2TSHRCYP2C9
SCHEMBL4221613 0.74 RECQL (0.77) MAPTPOLBSMN1; SMN2TSHRCYP2C9
SCHEMBL4864755 0.74 MAPT (0.64) MAPTPOLBSMN1; SMN2TSHRCYP2C9

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 13 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-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 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-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-20060287314-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-12-21 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
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 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
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 (3 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 MAPT 1684/4885POLB 3267/4885SMN1; SMN2 1161/4885
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF MAPT 919/4885POLB 430/4885SMN1; SMN2 1061/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 MAPT 2410/4885POLB 1169/4885SMN1; SMN2 2575/4885

“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.