SCHEMBL3352973

SCHEMBL3352973

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
RAB9A P51151 3/20 0.64
NPC1 O15118 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
TNF P01375 1/20 0.64
NOD1 Q9Y239 1/20 0.64
MAPT P10636 5/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDR P35968 2/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
KMT2A Q03164 1/20 0.56
EPHX2 P34913 1/20 0.55
PKM P14618 1/20 0.55
BRAF P15056 1/20 0.54
MAPK14 Q16539 1/20 0.54
TNNI3K Q59H18 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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 0.89 RAB9A (0.79) GAARAB9ANPC1L3MBTL1TNF
SCHEMBL30002112 0.88 GAA (0.78) GAARAB9ANPC1L3MBTL1MAPT
SCHEMBL4265086 0.84 EPHX2 (0.69) RAB9ANPC1MAPTKDRKMT2A
SCHEMBL4084235 0.82 MAPT (0.75) RAB9ANPC1MAPTKDM4EKDR
SCHEMBL4260471 0.81 KDR (0.67) RAB9ANPC1MAPTMAPK1NPSR1
SCHEMBL3133529 0.81 RAB9A (0.71) GAARAB9ANPC1L3MBTL1TNF
SCHEMBL3138196 0.81 LMNA (0.50) GAARAB9ANPC1L3MBTL1TNF
SCHEMBL21459916 0.80 HTR2C (0.60) GAARAB9ANPC1L3MBTL1TNF
SCHEMBL14784814 0.78 GAA (0.74) GAARAB9ANPC1L3MBTL1TNF
SCHEMBL3200398 0.78 LIPE (0.62) GAARAB9AMAPTNPSR1LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010053829-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS ARETE THERAPEUTICS, INC. (US) 2010-05-14 WO claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
US-20090197916-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS ARETE THERAPEUTICS, INC 2009-08-06 US claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US claimed
WO-2010053829-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS ARETE THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090197916-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS ARETE THERAPEUTICS, INC 2009-08-06 US disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
WO-2009035949-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG GAA 1121/4885RAB9A 2783/4885NPC1 1529/4885
US-20090082350-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 GAA 1322/4885RAB9A 2718/4885NPC1 1464/4885
US-20090197916-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS EPHX1, NCEH1, PNLIP GAA 306/4885RAB9A 3038/4885NPC1 767/4885

“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.