SCHEMBL5456876

SCHEMBL5456876

CC(=O)c1ccc(C(=O)NC(=O)C(=NO)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
GAA P10253 3/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL4449252 0.82 GAA (0.53) NPC1RAB9ASMN1; SMN2GAACYP2C19
SCHEMBL1694126 0.74 GAA (0.57) TDP1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1694122 0.74 GAA (0.57) TDP1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL12071044 0.74 GAA (0.57) TDP1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL2154318 0.73 GAA (0.52) TDP1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL2154326 0.73 GAA (0.52) TDP1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL28362828 0.73 ALDH1A1 (0.61) NPC1RAB9AGAAKMT2APOLB
Acetophenone SCHEMBL6482494 0.73 MAPT (0.68) TDP1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL2155097 0.72 GAA (0.59) TDP1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL2155092 0.72 GAA (0.59) TDP1NPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 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
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF TDP1 469/4885NPC1 1779/4885RAB9A 1816/4885

“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.