SCHEMBL5011561

SCHEMBL5011561

CCCCCCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 5/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.46
FAAH O00519 2/20 0.46
MGLL Q99685 1/20 0.46
RORA P35398 2/20 0.46
RORC P51449 2/20 0.46
RORB Q92753 2/20 0.46
PGR P06401 1/20 0.46
S100A4 P26447 1/20 0.44
HTT P42858 3/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR8 Q9NR97 2/20 0.43
ALDH1A1 P00352 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 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
SCHEMBL7846871 1.00 TDP1 (0.54) TDP1L3MBTL1KDM4EMAPK1NPSR1
SCHEMBL18071858 1.00 TDP1 (0.54) TDP1L3MBTL1KDM4EMAPK1NPSR1
SCHEMBL11955368 0.99 TDP1 (0.55) TDP1L3MBTL1KDM4EMAPK1NPSR1
SCHEMBL80507 0.94 TDP1 (0.61) TDP1L3MBTL1KDM4EMAPK1NPSR1
SCHEMBL19728591 0.90 TDP1 (0.47) TDP1L3MBTL1KDM4EMAPK1NPSR1
SCHEMBL19728600 0.87 TDP1 (0.43) TDP1L3MBTL1KDM4EMAPK1NPSR1
SCHEMBL18071859 0.84 TDP1 (0.41) TDP1L3MBTL1KDM4EMAPK1NPSR1
SCHEMBL13038973 0.84 ALDH1A1 (0.46) TDP1L3MBTL1KDM4EMAPK1NPSR1
SCHEMBL10067790 0.83 ALDH1A1 (0.58) TDP1L3MBTL1KDM4EMAPK1NPSR1
SCHEMBL14365729 0.82 KDM4E (0.51) TDP1L3MBTL1KDM4ENPSR1MAPT

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-1971575-B1 ANTHRAQUINONE DERIVATIVES AS MARKERS FOR LIQUIDS BASF SE (DE) 2010-04-21 EP disclosed
US-20080318331-A1 Anthraquinone Derivatives as Markers For Liquids BASF SE (DE) 2008-12-25 US disclosed
US-20080318331-A1 Anthraquinone Derivatives as Markers For Liquids BASF SE (DE) 2008-12-25 US disclosed
WO-2008074709-A1 ANTHRAQUINONE DERIVATIVES AS MARKERS FOR LIQUIDS BASF SE (DE) 2008-06-26 WO disclosed
US-6210783-B1 COMPRISED OF SUPPORTING SUBSTRATE, A HEAT DISSIPATING COATING LAYER IN CONTACT WITH SUBSTRATE, WHEREIN COATING IS COMPRISED OF A HEAT DISSIPATING BINDER, AN ANTISTATIC COMPOUND, AN INK RECEIVER COATING COMPRISING BINDER, OXAZOLINE COMPOUND XEROX CORPORATION 2001-04-03 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 (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-20080318331-A1 Anthraquinone Derivatives as Markers For Liquids ANTXR2, AQP1, MYADM TDP1 3083/4885L3MBTL1 3278/4885KDM4E 4562/4885

“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.