SCHEMBL734897

SCHEMBL734897

N#Cc1ccccc1CCOC=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 2/20 0.35
HSD11B1 P28845 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2A P28223 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL514414 0.82 FFAR1 (0.44) FFAR1CYP19A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2154210 0.77 SMN1; SMN2 (0.49) FFAR1CYP19A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL30669699 0.77 CYP19A1 (0.40) FFAR1CYP19A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL20243770 0.77 CYP19A1 (0.40) FFAR1CYP19A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1847344 0.76 FFAR1 (0.46) FFAR1CYP19A1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2096285 0.74 TAAR1 (0.52) ALDH1A1
SCHEMBL12028431 0.74 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL5542038 0.74 DPP4 (0.46) FFAR1
SCHEMBL27765185 0.74 PTGER4 (0.41) FFAR1
SCHEMBL20259317 0.74 TSHR (0.39) FFAR1CYP19A1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8138330-B2 Solid phase synthesis via deblocking immobilized nucleoside, then coupling acyl protected nucleoside phosphoramidite SIGMA-ALDRICH CO. LLC (US) 2012-03-20 US disclosed
WO-2009117036-A2 BIOACTIVE MOLECULES FROM CO-CULTIVATION OF MICROBES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-24 WO disclosed
US-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES SIGMA ALDRICH COMPANY (US) 2008-03-13 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (2 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-20080064867-A1 PROCESS FOR THE SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, DUT, ADAR FFAR1 3141/4885CYP19A1 4444/4885ALDH1A1 2127/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 FFAR1 105/4885CYP19A1 3120/4885ALDH1A1 355/4885

“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.