SCHEMBL3680268

SCHEMBL3680268

COC(=O)/C=C/c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
MAPT P10636 6/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NPSR1 Q6W5P4 3/20 0.63
HTT P42858 3/20 0.63
LMNA P02545 2/20 0.63
ALOX12 P18054 1/20 0.63
PLA2G4A P47712 1/20 0.60
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 2/20 0.49
RECQL P46063 1/20 0.49
PTGES O14684 1/20 0.49
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ITGAL P20701 2/20 0.47
GAA P10253 1/20 0.47
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL3680272 1.00 TDP1 (0.67) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL3681764 0.87 PLA2G4A (0.78) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL3681767 0.87 PLA2G4A (0.78) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL25195164 0.81 MAPT (0.64) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL25233892 0.81 MAPT (0.64) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL5661855 0.79 MAPT (0.72) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL6168977 0.79 ALDH1A1 (0.57) TDP1MAPTMEN1KMT2AHTT
SCHEMBL6168986 0.79 ALDH1A1 (0.57) TDP1MAPTMEN1KMT2AHTT
SCHEMBL5830443 0.79 ITGAL (0.74) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL29913976 0.76 APP (0.66) TDP1MAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 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 (3 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TDP1 4853/4885MAPT 4869/4885MEN1 4864/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TDP1 4853/4885MAPT 4869/4885MEN1 4864/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TDP1 4853/4885MAPT 4869/4885MEN1 4864/4885

“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.