SCHEMBL13342691

SCHEMBL13342691

O=Cc1c[nH]c2c([N+](=O)O)cccc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.57
▸ TRIM33 Q9UPN9 1/20 0.57
▸ PIM3 Q86V86 9/20 0.52
▸ PIM1 P11309 7/20 0.52
▸ PIM2 Q9P1W9 2/20 0.48
▸ CYP2A6 P11509 2/20 0.46
▸ IMPDH2 P12268 1/20 0.46
▸ KMT2A Q03164 1/20 0.41
▸ DNA2 P51530 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ ERN1 O75460 1/20 0.39

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
SCHEMBL3056048 0.84 TRIM24 (0.57) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL29955386 0.78 TRIM24 (0.66) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL29954763 0.77 TRIM24 (0.70) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL29953184 0.76 PIM3 (0.77) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL16067373 0.76 PIM3 (0.77) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL1092989 0.73 TRIM24 (0.64) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL672635 0.73 TRIM24 (1.00) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL29954012 0.73 TRIM24 (0.64) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL670824 0.73 TRIM24 (0.64) TRIM24TRIM33PIM3PIM1PIM2
SCHEMBL14519078 0.72 PIM3 (0.65) TRIM24TRIM33PIM3PIM1PIM2

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-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — US disclosed
US-20070155818-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-07-05 — — US 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-20070155818-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA TRIM24 2245/4885TRIM33 3486/4885PIM3 4439/4885

“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.

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