SCHEMBL3143366

SCHEMBL3143366

Cc1cc(N2C=CCNC2=O)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
MRGPRX4 Q96LA9 6/20 0.39
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGER1 P34995 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR6 P50406 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL8915218 0.79 FFAR4 (0.46) FFAR4MRGPRX4HTR1ASLC6A2SLC6A4
SCHEMBL3135075 0.77 FFAR4 (0.44) FFAR4MRGPRX4HTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8888785 0.73 HTR1A (0.61) FFAR4MRGPRX4HTR1ASLC6A2SLC6A4
SCHEMBL8889477 0.71 CYP3A4 (0.46) FFAR4MRGPRX4PTGER1NPC1RAB9A
SCHEMBL12275460 0.70 FFAR4 (0.47) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL4715362 0.69 FFAR4 (0.44) FFAR4MRGPRX4L3MBTL1MAPTTDP1
SCHEMBL9080839 0.68 DRD4 (0.55) HTR6NPC1RAB9AMAPTMAPK1
SCHEMBL2880445 0.68 MRGPRX4 (0.66) FFAR4MRGPRX4PTGER1L3MBTL1NPC1
SCHEMBL12295554 0.67 MRGPRX4 (0.68) FFAR4MRGPRX4L3MBTL1RAB9AMAPT
SCHEMBL25081934 0.67 MAPT (0.64) FFAR4MRGPRX4HTR1AALOX5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 FFAR4 2593/4885MRGPRX4 368/4885HTR1A 325/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 FFAR4 2072/4885MRGPRX4 521/4885HTR1A 3159/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 FFAR4 1833/4885MRGPRX4 712/4885HTR1A 343/4885

“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.