SCHEMBL3133529

SCHEMBL3133529

O=C(O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
NPC1 O15118 1/20 0.71
TNF P01375 1/20 0.71
NOD1 Q9Y239 1/20 0.71
GAA P10253 3/20 0.67
BRD4 O60885 1/20 0.58
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
KCNE1 P15382 1/20 0.58
KCNQ1 P51787 1/20 0.58
PKM P14618 1/20 0.58
LMNA P02545 1/20 0.58
LIPE Q05469 7/20 0.58
MAPK1 P28482 4/20 0.57
MAPT P10636 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
GALR3 O60755 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL6179298 0.92 RAB9A (0.79) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6178349 0.89 RAB9A (0.69) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL31305896 0.89 RAB9A (0.69) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL1290892 0.89 RAB9A (0.69) RAB9AL3MBTL1NPC1TNFNOD1
Hydrochloric Acid SCHEMBL1290991 0.88 RAB9A (0.68) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL3138983 0.87 RAB9A (0.67) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6179437 0.86 RAB9A (0.66) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL3142668 0.86 RAB9A (0.66) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6180159 0.85 RAB9A (0.64) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL4327207 0.85 LMNA (0.73) RAB9AGAALMNALIPEMAPT

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 RAB9A 2782/4885L3MBTL1 502/4885NPC1 1029/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 RAB9A 2323/4885L3MBTL1 533/4885NPC1 1397/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 RAB9A 3123/4885L3MBTL1 1465/4885NPC1 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.