SCHEMBL6804866

SCHEMBL6804866

O=C(O)Cn1c(-c2cccc([N+](=O)[O-])c2)ncc(NC(=O)c2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.53
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SNCA P37840 1/20 0.47
POLB P06746 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.44
ELANE P08246 1/20 0.44
CASP1 P29466 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
PABPC1 P11940 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 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
SCHEMBL6803975 0.89 ELANE (0.51) HDAC2KMT2AMEN1ALDH1A1SNCA
SCHEMBL6240894 0.85 ELANE (0.51) HDAC2ALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL6805949 0.84 CASP1 (0.48) HDAC2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6803122 0.81 CMA1 (0.52) KMT2AMEN1ALDH1A1RAB9ATDP1
SCHEMBL6804839 0.80 NR1H4 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL6805801 0.79 RAB9A (0.53) ALDH1A1POLBSMN1; SMN2RAB9ANPC1
SCHEMBL6240974 0.79 RAB9A (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL6803430 0.79 ALDH1A1 (0.52) HDAC2KMT2AMEN1ALDH1A1POLB
SCHEMBL6802993 0.79 RAB9A (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL6805612 0.79 HDAC2 (0.46) HDAC2ALDH1A1SMN1; SMN2RAB9ANPC1

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 HDAC2 3613/4885KMT2A 2096/4885MEN1 1512/4885

“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.