SCHEMBL4933003

SCHEMBL4933003

CC(=O)C=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 5/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
GPR35 Q9HC97 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.45
HIF1A Q16665 1/20 0.45
BACE1 P56817 2/20 0.44
DYRK1A Q13627 1/20 0.44
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL4933000 1.00 PTGS2 (0.54) PTGS2ALDH1A1MAPTMAPK1TDP1
SCHEMBL3602553 0.86 MAPT (0.64) PTGS2ALDH1A1MAPTMAPK1TDP1
SCHEMBL989659 0.86 MAPT (0.64) PTGS2ALDH1A1MAPTMAPK1TDP1
SCHEMBL1174503 0.86 MAPT (0.64) PTGS2ALDH1A1MAPTMAPK1TDP1
SCHEMBL8153356 0.84 TDP1 (0.50) PTGS2ALDH1A1MAPTMAPK1TDP1
SCHEMBL4862490 0.84 PTGS2 (0.54) PTGS2ALDH1A1MAPTHTTKMT2A
SCHEMBL4862498 0.84 PTGS2 (0.54) PTGS2ALDH1A1MAPTHTTKMT2A
SCHEMBL8153352 0.84 TDP1 (0.50) PTGS2ALDH1A1MAPTMAPK1TDP1
SCHEMBL11938125 0.84 ALDH1A1 (0.50) PTGS2ALDH1A1MAPTMAPK1TDP1
SCHEMBL4019893 0.84 ALDH1A1 (0.50) PTGS2ALDH1A1MAPTMAPK1TDP1

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
EP-1783115-B1 ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE INST MATERIA MEDICA CAMS (CN) 2016-07-13 EP disclosed
US-8524744-B2 preventing and/or treating the diseases related to the plaque-activating factors, especially in anti-inflammation and immunization, more especially in the treatment of the acute or chronic inflammation, such as, osteoarthritis, oarthritis deformans, etc. INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-09-03 US disclosed
US-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2008-09-11 US disclosed
CN-101146772-A Arylamine ketone compound, synthesis method thereof, pharmaceutical composition containing arylamine ketone compound and application of arylamine ketone compound INST MATERIA MEDICA CAMS (CN) 2008-03-19 CN disclosed
EP-1783115-A1 ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2007-05-09 EP 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-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use AHR, KYNU, AADAC PTGS2 327/4885ALDH1A1 854/4885MAPT 1003/4885

“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.