SCHEMBL6806534

SCHEMBL6806534

O=C(O)C(c1ccccc1)n1cncc([N+](=O)[O-])c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 4/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
GABRA1 P14867 3/20 0.36
CYP3A4 P08684 2/20 0.36
GABRB2 P47870 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCB11 O95342 1/20 0.36
GABRA2 P47869 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL6805605 0.78 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1CYP1A2LMNA
SCHEMBL6804116 0.77 ALDH1A1 (0.43) ALDH1A1TDP1MAPK1CYP1A2LMNA
Hydrochloric Acid SCHEMBL6805332 0.77 ALDH1A1 (0.43) ALDH1A1TDP1MAPK1CYP1A2LMNA
SCHEMBL6804327 0.76 CYP19A1 (0.39) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL6803128 0.75 GRM8 (0.40) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL6803978 0.74 KMT2A (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL6804869 0.72 POLB (0.50) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL6805321 0.72 IDO1 (0.47) ALDH1A1TDP1KMT2AMAPK1CYP1A2
SCHEMBL3568945 0.71 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1CYP1A2LMNA
SCHEMBL6650197 0.69 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1CYP1A2LMNA

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 2 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 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 ALDH1A1 134/4885TDP1 316/4885MEN1 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.