SCHEMBL3137358

SCHEMBL3137358

O=C(Nc1ccc(Oc2ccc(N3CCC(CC(=O)N4CCNCC4Cc4ccc5c(c4)OCO5)CC3)cc2)nc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.38
F10 P00742 1/20 0.37
FAAH O00519 1/20 0.37
GAA P10253 1/20 0.37
BRD4 O60885 1/20 0.37
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
STAT3 P40763 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LIPE Q05469 3/20 0.36

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
SCHEMBL3033606 0.84 CYP3A4 (0.43) NPC1FAAHGAAMAPTHTT
SCHEMBL3031904 0.76 MAPT (0.47) RAB9ANPC1FAAHGAAMAPT
SCHEMBL3026272 0.76 ABCB1 (0.43) RAB9ANPC1FAAHMAPTHTT
SCHEMBL3027481 0.75 ABCB1 (0.48) RAB9AFAAHGAAMAPTHTT
SCHEMBL3147538 0.75 RAB9A (0.59) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL3016770 0.73 HIF1A (0.52) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL3026817 0.72 CTNNB1 (0.47) RAB9ANPC1L3MBTL1FAAHGAA
SCHEMBL3032985 0.72 FAAH (0.47) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL12276572 0.72 NPC1 (0.47) RAB9ANPC1TNFNOD1L3MBTL1
SCHEMBL3026815 0.71 ABCB1 (0.44) RAB9ANPC1L3MBTL1FAAHMAPT

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
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
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 SCN9A 2306/4885RAB9A 2782/4885NPC1 1029/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SCN9A 2728/4885RAB9A 2323/4885NPC1 1397/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SCN9A 2566/4885RAB9A 3123/4885NPC1 2588/4885

“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.