SCHEMBL6804839

SCHEMBL6804839

O=C(O)Cn1c(-c2cccc(OCc3ccccc3)c2)ncc(NC(=O)c2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CASP1 P29466 2/20 0.49
ELANE P08246 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMPD1 P17405 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL6803676 0.89 RAB9A (0.52) NR1H4MEN1KMT2ACASP1ELANE
SCHEMBL6240894 0.85 ELANE (0.51) CASP1ELANEHDAC1ALDH1A1SMN1; SMN2
SCHEMBL6805949 0.83 CASP1 (0.48) MEN1KMT2ACASP1ELANEHDAC1
SCHEMBL6805699 0.82 CMA1 (0.52)
SCHEMBL6804866 0.80 HDAC2 (0.53) MEN1KMT2ACASP1ELANEALDH1A1
SCHEMBL6556239 0.80 ELANE (0.64) CASP1ELANE
SCHEMBL6799310 0.79 RAB9A (0.54) MEN1KMT2ACASP1ELANEALDH1A1
SCHEMBL6805801 0.79 RAB9A (0.53) CASP1ELANEALDH1A1SMN1; SMN2NPC1
SCHEMBL6085435 0.78 ELANE (0.67) CASP1ELANENPC1RAB9A
SCHEMBL6240974 0.78 RAB9A (0.55) MEN1KMT2ACASP1ELANEALDH1A1

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 NR1H4 2205/4885MEN1 1512/4885KMT2A 2096/4885

“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.