SCHEMBL5541822

SCHEMBL5541822

O=C(c1ccc(O)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
ELANE P08246 2/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
AURKA O14965 1/20 0.51
TPX2 Q9ULW0 1/20 0.51
EPHX2 P34913 2/20 0.50
SRD5A2 P31213 1/20 0.50
TRPV1 Q8NER1 2/20 0.49
MAPK1 P28482 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL4475347 0.92 NPC1 (0.60) MAPTELANENPC1RAB9AAURKA
Hydrochloric Acid SCHEMBL3539826 0.90 NPC1 (0.58) ELANENPC1RAB9AAURKATPX2
SCHEMBL221511 0.85 MAPT (0.52) ESR1ESR2MAPTHTTRAB9A
SCHEMBL14145709 0.85 AURKA (0.49) ELANENPC1RAB9AAURKATPX2
SCHEMBL13560798 0.85 AURKA (0.49) ELANENPC1RAB9AAURKATPX2
SCHEMBL7929195 0.85 NPC1 (0.54) NPC1RAB9AEPHX2TRPV1FAAH
SCHEMBL4602009 0.85 ELANE (0.56) ELANENPC1RAB9AEPHX2SRD5A2
SCHEMBL22721360 0.85 EPHX2 (0.62) NPC1RAB9AAURKATPX2EPHX2
SCHEMBL24360977 0.84 LMNA (0.52) ESR1ESR2LMNAMAPTPKM
SCHEMBL11059240 0.83 TRPV1 (0.69) NPC1RAB9AEPHX2SRD5A2TRPV1

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 9 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-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
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
CN-1272884-A Adipocyte-specific protein homologs ZYMOGENETICS INC (US) 2000-11-08 CN disclosed
CN-1263882-A Method for preparing fluorine-substituted aromatic compound MITSUI CHEMICALS INC (JP) 2000-08-23 CN disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ESR1 1578/4885ESR2 339/4885LMNA 4152/4885

“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.