SCHEMBL4701084

SCHEMBL4701084

COc1ccc(S(=O)(=O)N(C)c2cccc(-c3ccnc4c([N+](=O)[O-])cnn34)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MAPK13 O15264 2/20 0.40
PIM1 P11309 2/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PGR P06401 1/20 0.39
KMT2A Q03164 3/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
MAPK1 P28482 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
AOX1 Q06278 1/20 0.39
PDE3A Q14432 1/20 0.39
DAPK3 O43293 1/20 0.39

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
SCHEMBL4699164 0.91 KDM4E (0.41) KDM4EALDH1A1MAPK13PIM1KMT2A
SCHEMBL4702723 0.89 ALDH1A1 (0.47) POLBMCOLN3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4702945 0.87 KDM4E (0.40) POLBMCOLN3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4702688 0.86 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2MAPK13PIM1
SCHEMBL4703700 0.85 KDM4E (0.43) POLBKDM4EALDH1A1MAPK13PIM1
SCHEMBL4703709 0.83 KDM4E (0.46) POLBKDM4EALDH1A1MAPK13GABRA1
SCHEMBL4701446 0.82 KDM4E (0.42) POLBKDM4EALDH1A1MAPK13PIM1
SCHEMBL4703160 0.79 MAPK1 (0.45) KDM4EALDH1A1SMN1; SMN2KMT2AGABRA1
SCHEMBL4700623 0.78 KDM4E (0.52) POLBKDM4EALDH1A1MAPK13PIM1
SCHEMBL4701061 0.78 KDM4E (0.42) KDM4EALDH1A1KMT2AGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 EP claimed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 US claimed
EP-1648896-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP claimed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 WO claimed
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 EP disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 US disclosed
EP-1648896-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 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-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 POLB 1975/4885MCOLN3 4050/4885KDM4E 3514/4885

“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.