SCHEMBL4765974

SCHEMBL4765974

O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.77
GAA P10253 2/20 0.77
KDM4E B2RXH2 2/20 0.77
LMNA P02545 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
MBTD1 Q05BQ5 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
PKM P14618 1/20 0.65
ALDH1A1 P00352 3/20 0.60
SIGMAR1 Q99720 6/20 0.58
KMT2A Q03164 2/20 0.53
HRH3 Q9Y5N1 2/20 0.52
MEN1 O00255 1/20 0.52
HTR7 P34969 1/20 0.51
SFRP1 Q8N474 1/20 0.51

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
SCHEMBL4772036 0.92 KDM4E (0.90) MAPTGAAKDM4ELMNASMN1; SMN2
SCHEMBL7000216 0.91 KDM4E (0.92) MAPTGAAKDM4ELMNASMN1; SMN2
SCHEMBL14039394 0.82 L3MBTL1 (0.97) MBTD1L3MBTL1ALDH1A1SIGMAR1KMT2A
SCHEMBL3327029 0.82 L3MBTL1 (0.72) MBTD1L3MBTL1SIGMAR1KMT2AHRH3
SCHEMBL4770184 0.82 L3MBTL1 (0.72) MAPTGAAKDM4ELMNASMN1; SMN2
SCHEMBL23682795 0.81 L3MBTL1 (1.00) MBTD1L3MBTL1ALDH1A1SIGMAR1KMT2A
SCHEMBL3322160 0.81 L3MBTL1 (0.74) MAPTGAAKDM4ELMNASMN1; SMN2
SCHEMBL1636286 0.81 L3MBTL1 (0.74) MAPTGAAKDM4ELMNASMN1; SMN2
SCHEMBL10854490 0.81 SIGMAR1 (0.83) MAPTGAAKDM4ELMNASMN1; SMN2
SCHEMBL6034608 0.81 SIGMAR1 (0.83) MAPTGAAKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed
US-20030216406-A1 Pyrimidine derivatives ASTRAZENECA AB (SE) 2003-11-20 US disclosed
EP-1303496-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2003-04-23 EP disclosed
WO-2002004429-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2002-01-17 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-20030216406-A1 Pyrimidine derivatives TYMP, TYMS, CCNT1 MAPT 4272/4885GAA 904/4885KDM4E 1284/4885

“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.