SCHEMBL8925971

SCHEMBL8925971

O=C(Nc1ccc(Oc2ccc(N3CCN(C(=O)COc4ccccc4)CC3)cc2)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.58
GRIN2B Q13224 1/20 0.58
ENPP2 Q13822 3/20 0.56
MAPK1 P28482 1/20 0.55
ME2 P23368 1/20 0.54
ME1 P48163 1/20 0.54
ME3 Q16798 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 9/20 0.54
KDM4E B2RXH2 3/20 0.54
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
GALR3 O60755 1/20 0.52
NR2F2 P24468 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL11959917 0.87 MAPT (0.62) GRIN1GRIN2BMAPK1KMT2AMAPT
SCHEMBL3143408 0.80 MAPT (0.63) KMT2AMAPTKDM4EALDH1A1NPC1
SCHEMBL8009251 0.79 GRIN1 (0.71) GRIN1GRIN2BENPP2KMT2AMAPT
SCHEMBL14496837 0.79 MAPT (0.52) KMT2AMAPTKDM4EALDH1A1NPC1
SCHEMBL3142457 0.78 MAPT (0.50) KMT2AMAPTKDM4EALDH1A1NPC1
SCHEMBL8924661 0.78 MAPT (0.69) MAPK1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3143052 0.77 MAPT (0.49) KMT2AMAPTKDM4EALDH1A1NPC1
SCHEMBL12575492 0.76 GRIN1 (0.77) GRIN1GRIN2BENPP2MAPK1MAPT
SCHEMBL8012157 0.75 GRIN1 (0.68) GRIN1GRIN2BENPP2MAPK1KMT2A
SCHEMBL8006950 0.74 GRIN1 (0.70) GRIN1GRIN2BENPP2MAPK1ME2

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 10 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-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-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
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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

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 GRIN1 957/4885GRIN2B 2860/4885ENPP2 3183/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 GRIN1 1579/4885GRIN2B 3901/4885ENPP2 1939/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 GRIN1 3189/4885GRIN2B 3753/4885ENPP2 2256/4885

“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.