Sugi Predict

Sugi Predict / Compounds / SCHEMBL5879138

SCHEMBL5879138

SCHEMBL5879138

O=c1[nH]c(=O)c2c1c1[nH]c3cccc([N+](=O)[O-])c3c1c1c(=O)[nH]c(=O)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.50
▸ PARP1 P09874 1/20 0.45
▸ TYMS P04818 1/20 0.44
▸ GRIN2D O15399 2/20 0.43
▸ GRIN3B O60391 2/20 0.43
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2A Q12879 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ GRIN2C Q14957 2/20 0.43
▸ GRIN3A Q8TCU5 2/20 0.43
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GRIK1 P39086 2/20 0.40
▸ GRIA1 P42261 2/20 0.40
▸ GRIA2 P42262 2/20 0.40
▸ GRIA3 P42263 2/20 0.40
▸ GRIA4 P48058 2/20 0.40
▸ GRIK2 Q13002 2/20 0.40
▸ GRIK3 Q13003 2/20 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
SCHEMBL7004441 0.87 TDP1 (0.44) PARP1TYMSMAPTALDH1A1HPGD
SCHEMBL9055483 0.83 GRIN2D (0.53) PARP1TYMSGRIN2DGRIN3BGRIN1
SCHEMBL6007713 0.81 TDP1 (0.52) PARP1MAPTALDH1A1NOS1TSHR
SCHEMBL1799350 0.79 TYMS (0.47) PARP1TYMSGRIN2DGRIN3BGRIN1
SCHEMBL29478497 0.76 MAPT (0.57) PARP1MAPTALDH1A1HPGDGRIK1
SCHEMBL28907048 0.76 MAPT (0.57) PARP1MAPTALDH1A1HPGDGRIK1
SCHEMBL5879190 0.75 CHEK1 (0.58) CHEK1PARP1GRIN2DGRIN3BGRIN1
SCHEMBL5879193 0.73 CHEK1 (0.56) CHEK1PARP1TYMSGRIN2DGRIN3B
SCHEMBL5879268 0.73 CHEK1 (0.56) CHEK1PARP1GRIN2DGRIN3BGRIN1
SCHEMBL5879195 0.73 CHEK1 (0.56) CHEK1PARP1TYMSGRIN2DGRIN3B

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-7151108-B2 Anticarcinogenic, antiproliferative, and antitumor agents LES LABORATORIES SERVIER (FR) 2006-12-19 — — US disclosed
EP-1411057-B1 [3,4-a:3,4-c]carbazole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-04-27 — — EP disclosed
US-20040077672-A1 Anticarcinogenic, antiproliferative, and antitumor agents LES LABORATOIRES SERVIER (FR) 2004-04-22 — — US disclosed
EP-1411057-A1 [3,4-a:3,4-c]carbazole derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2004-04-21 — — 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-20040077672-A1 Anticarcinogenic, antiproliferative, and antitumor agents XDH, TOP2A, TOP1 CHEK1 943/4885PARP1 120/4885TYMS 877/4885

“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.