SCHEMBL6507123

SCHEMBL6507123

C#CCc1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TSHR P16473 5/20 0.39
LMNA P02545 1/20 0.39
PYCR1 P32322 2/20 0.39
ALDH1A1 P00352 6/20 0.35
TDP1 Q9NUW8 4/20 0.35
HSD17B10 Q99714 1/20 0.35
SNCA P37840 1/20 0.35
PTPRC P08575 1/20 0.34
S100A4 P26447 1/20 0.34
ACHE P22303 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
VCAM1 P19320 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL11286333 0.82 TSHR (0.45) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL458041 0.79 POLB (0.43) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL5585098 0.79 LOXL2 (0.46) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL7940300 0.79 TSHR (0.42) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL7304803 0.79 TSHR (0.42) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL6377117 0.79 TSHR (0.49) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL27773763 0.76 TSHR (0.39) TSHRLMNAALDH1A1TDP1HSD17B10
SCHEMBL231178 0.76 KDM4E (0.42) MAPTTSHRLMNAALDH1A1TDP1
SCHEMBL11742163 0.75 HTT (0.40) TSHRLMNAPYCR1ALDH1A1TDP1
SCHEMBL29130863 0.75 CYP1A2 (0.51) MAPTTSHRLMNAALDH1A1TDP1

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-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPT 2803/4885TSHR 1855/4885LMNA 1815/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPT 2543/4885TSHR 1152/4885LMNA 1884/4885

“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.