SCHEMBL6802591

SCHEMBL6802591

Cc1ccc(C(C(=O)O)n2cncc(N)c2=O)o1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ABCB11 O95342 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL6800431 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2CYP3A4LMNA
SCHEMBL6804093 0.71 CES2 (0.34)
SCHEMBL6803128 0.67 GRM8 (0.40) ALDH1A1TDP1KDM4E
SCHEMBL7336858 0.61 GABRA1 (0.32) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
SCHEMBL23247603 0.60 ALOX5 (0.50) ALOX5ALDH1A1TDP1KDM4ELMNA
SCHEMBL11485234 0.58
SCHEMBL6806534 0.57 ALDH1A1 (0.41) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
Carbamic Acid SCHEMBL28595840 0.57 TDP1 (0.61) ALOX5ALDH1A1TDP1KDM4ELMNA
SCHEMBL23867483 0.56 ALDH1A1 (0.44) ALDH1A1TDP1KDM4ECYP1A2CYP3A4
Bicarbonate SCHEMBL9195144 0.56 TDP1 (0.69) ALOX5ALDH1A1TDP1KDM4ELMNA

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 2233/4885ALDH1A1 134/4885TDP1 316/4885

“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.