SCHEMBL5539399

SCHEMBL5539399

O=C(Cl)N1CCc2cc(Cl)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.54
ESR1 P03372 3/20 0.54
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
TMPRSS2 O15393 1/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
NOTUM Q6P988 2/20 0.46
AKR1C3 P42330 2/20 0.46

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
SCHEMBL5536189 0.86 DPP4 (0.50) ESR2ESR1TAS1R3TAS1R1TAS1R2
SCHEMBL10920943 0.85 NOTUM (0.63) ESR2ESR1TAS1R3TAS1R1TAS1R2
SCHEMBL25206226 0.81 ESR2 (0.76) ESR2ESR1TAS1R3TAS1R1TAS1R2
SCHEMBL29390456 0.80 ESR1 (0.50) ESR2ESR1TAS1R3TAS1R1TAS1R2
SCHEMBL13623452 0.80 ESR1 (0.50) ESR2ESR1TAS1R3TAS1R1TAS1R2
SCHEMBL329871 0.79 NOTUM (0.68) TMPRSS2NPC1RAB9AKMT2AMEN1
SCHEMBL29590995 0.79 NOTUM (0.68) TMPRSS2NPC1RAB9AKMT2AMEN1
SCHEMBL8221038 0.79 NOTUM (0.63) ESR2ESR1TAS1R3TAS1R1TAS1R2
SCHEMBL16759871 0.78 ESR2 (0.53) ESR2ESR1NOTUMDPP4
SCHEMBL19684692 0.78 ESR2 (0.78) ESR2ESR1NPC1RAB9AKMT2A

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 5 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

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 ESR2 339/4885ESR1 1578/4885TAS1R3 292/4885

“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.