SCHEMBL6804173

SCHEMBL6804173

Nc1cncn(C(C(=O)O)c2ccc(OCc3ccccc3)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL6805705 0.89 SMN1; SMN2 (0.49) ALOX5NR4A2CYP19A1MAOBSMN1; SMN2
SCHEMBL6804116 0.82 ALDH1A1 (0.43) CYP11B1CYP11B2GAASMN1; SMN2L3MBTL1
SCHEMBL6803679 0.82 RAB9A (0.50) RAB9ASMN1; SMN2
SCHEMBL6802612 0.78 ALDH1A1 (0.33) ALOX5CYP19A1MAPTL3MBTL1
SCHEMBL6804076 0.78 ALDH1A1 (0.36) ALOX5CYP19A1CYP11B1CYP11B2
SCHEMBL6801626 0.73 ALDH1A1 (0.48) GAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6805631 0.72 POLB (0.48) MAOBRAB9ASMN1; SMN2L3MBTL1
SCHEMBL6804846 0.72 GPR132 (0.47) GAARAB9ASMN1; SMN2
SCHEMBL6810211 0.71 ALDH1A1 (0.36) SMN1; SMN2
SCHEMBL7294381 0.70 ELANE (0.47) RAB9ASMN1; 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 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 ALOX5 2233/4885PARP10 2747/4885PPARG 3051/4885

“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.