SCHEMBL5879296

SCHEMBL5879296

O=C1C=C(c2c[nH]c3cccc([N+](=O)[O-])c23)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.49
BACE1 P56817 2/20 0.38
PRKD3 O94806 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
ABL1 P00519 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
CCND1 P24385 1/20 0.36
PRKCH P24723 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL5879234 0.78 GPR84 (0.44) PRKD3CCNB2CCNE2ABL1PRKCG
SCHEMBL5879276 0.78 GPR84 (0.44) PRKD3CCNB2CCNE2ABL1PRKCG
SCHEMBL5879293 0.78 HTR2B (0.43) PRKD3CCNB2CCNE2ABL1PRKCG
SCHEMBL5879188 0.78 FFAR1 (0.44) PRKD3CCNB2CCNE2ABL1PRKCG
SCHEMBL5879162 0.78 CLK1 (0.45) CLK1PRKD3CCNB2CCNE2ABL1
SCHEMBL5879280 0.78 CYP2A6 (0.45) CLK1PRKD3CCNB2CCNE2ABL1
SCHEMBL187145 0.77 PTPN1 (0.55) ABL1PIM1PRKCAS100A4ALDH1A1
SCHEMBL29447181 0.77 PTPN1 (0.55) ABL1PIM1PRKCAS100A4ALDH1A1
SCHEMBL22636896 0.76 S100A4 (0.44) S100A4ALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL9087356 0.75 PRKCB (0.67) PRKD3CCNB2CCNE2ABL1PRKCG

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 CLK1 4556/4885BACE1 3066/4885PRKD3 2896/4885

“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.