SCHEMBL3790185

SCHEMBL3790185

N#Cc1ccc(-n2cccc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
VCAM1 P19320 3/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
GRIK1 P39086 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
GRIK4 Q16099 1/20 0.47
GRIK5 Q16478 1/20 0.47
LMNA P02545 3/20 0.44
KAT2B Q92831 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL6563795 0.79 ESR1 (0.59) MAPTMAPK1TDP1GRIK1GRIA1
SCHEMBL30657601 0.79 ESR1 (0.59) MAPTMAPK1TDP1GRIK1GRIA1
SCHEMBL6677996 0.77 GAA (0.57) MAPTMAPK1TDP1GRIK1GRIA1
SCHEMBL23850391 0.76 ALDH1A1 (0.65) MAPTVCAM1MAPK1TDP1LMNA
SCHEMBL31587859 0.76 ALDH1A1 (0.65) MAPTVCAM1MAPK1TDP1LMNA
SCHEMBL4477143 0.76 VCAM1 (0.70) MAPTVCAM1MAPK1TDP1LMNA
SCHEMBL11824811 0.76 MAPK1 (0.59) MAPTVCAM1MAPK1TDP1GRIK1
SCHEMBL20816305 0.76 TDP1 (0.50) MAPTMAPK1TDP1GRIK1GRIA1
SCHEMBL9044798 0.76 TSHR (0.56) MAPTMAPK1TDP1GRIK1GRIA1
SCHEMBL29126960 0.76 GRIK1 (0.50) MAPTMAPK1TDP1GRIK1GRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010135571-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
US-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2010-11-25 US disclosed
WO-2010135571-A1 NOVEL PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 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-20100298302-A1 NOVEL PROTEIN KINASE MODULATORS PIM2, PIM1, PIM3 MAPT 2534/4885VCAM1 521/4885MAPK1 369/4885

“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.