SCHEMBL13100477

SCHEMBL13100477

C/[N+]([O-])=C/c1ccc(/C=[N+](/C)[O-])cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
MITF O75030 1/20 0.35
FBP1 P09467 1/20 0.34
NPC1 O15118 1/20 0.34
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
G6PD P11413 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9631776 0.89 FBP1 (0.48) L3MBTL1MAPTRECQLFBP1NPC1
SCHEMBL22575907 0.86 G6PD (0.47) L3MBTL1ALDH1A1MAPTTSHRALOX15
SCHEMBL10448311 0.86 G6PD (0.47) L3MBTL1ALDH1A1MAPTTSHRALOX15
SCHEMBL13620526 0.83 FBP1 (0.53) ALDH1A1MAPTTSHRFBP1NPC1
SCHEMBL11752668 0.83 APP (0.55) ALDH1A1MAPTRECQLFBP1NPC1
SCHEMBL7364017 0.82 FBP1 (0.52) ALDH1A1MAPTTSHRFBP1TDP1
SCHEMBL9632547 0.78 ALDH1A1 (0.57) L3MBTL1ALDH1A1MAPTTSHRRECQL
SCHEMBL9632569 0.78 ALDH1A1 (0.42) L3MBTL1ALDH1A1MAPTTSHRRECQL
SCHEMBL5615679 0.77 ALDH1A1 (0.33) ALDH1A1MAPTFBP1HTTNPSR1
SCHEMBL13100474 0.74 NR1I2 (0.46) ALDH1A1MAPTRECQLNPC1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883931-B2 Polynitrones and use thereof for cross-linking unsaturated polymers HEINRICH-HEINE-UNIVERSITAT (DE) 2014-11-11 US disclosed
US-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2010-10-28 US disclosed
WO-2009074310-A1 POLYNITRONS, AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS HEINRICH-HEINE-UNIVERSITÄT (DE) 2009-06-18 WO 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-20100273910-A1 POLYNITRONES AND USE THEREOF FOR CROSS-LINKING UNSATURATED POLYMERS PNN, MNAT1, NCL L3MBTL1 2891/4885ALDH1A1 859/4885MAPT 220/4885

“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.