SCHEMBL6803986

SCHEMBL6803986

O=C(O)Cn1cncc([N+](=O)[O-])c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.35
ADORA2B P29275 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
GRIK2 Q13002 1/20 0.35
GRIK3 Q13003 1/20 0.35
GRIK4 Q16099 1/20 0.35
GRIK5 Q16478 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL7234130 0.73 RAD52 (0.56) AKR1B10AKR1B1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7474991 0.73 SMN1; SMN2 (0.39) ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL21685619 0.71 ALDH1A1 (0.47) AKR1B10AKR1B1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL19171859 0.71 AKR1B10 (0.44) AKR1B10AKR1B1ALDH1A1SMN1; SMN2GRIK1
SCHEMBL21339995 0.70 HDAC6 (0.56) HDAC6ALDH1A1SMN1; SMN2LMNAADORA2B
SCHEMBL4254995 0.69 LMNA (0.44) ALDH1A1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL31618312 0.69 PTGS2 (0.48) HDAC6RAB9ASMN1; SMN2KDM4EL3MBTL1
SCHEMBL3629428 0.69 CSNK2A2 (0.40) HDAC6ALDH1A1LMNAADORA2BKDM4E
SCHEMBL13031367 0.67 LMNA (0.43) ALDH1A1LMNAKDM4E
SCHEMBL733483 0.67 CSNK2A2 (0.46) HDAC6ALDH1A1LMNAADORA2BKDM4E

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
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP claimed
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040063936-A1 Pyrimidine derivatives and process for preparing the same DPYD, NUDT1, UMPS SLC22A6 2503/4885SLC22A8 1624/4885AKR1B10 497/4885

“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.