SCHEMBL5539735

SCHEMBL5539735

Clc1cc(C2=CCNCC2)cc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.61
HTR2C P28335 8/20 0.59
QDPR P09417 3/20 0.52
FTO Q9C0B1 1/20 0.49
INPPL1 O15357 1/20 0.42

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
SCHEMBL28688462 0.82 SIGMAR1 (0.69) SIGMAR1HTR2CQDPR
SCHEMBL3385014 0.81 SIGMAR1 (0.68) SIGMAR1HTR2CQDPRFTOINPPL1
Hydrochloric Acid SCHEMBL28678896 0.81 HTR2C (0.70) SIGMAR1HTR2CQDPRFTO
Hydrochloric Acid SCHEMBL2158640 0.80 HTR2C (0.69) SIGMAR1HTR2CQDPRFTOINPPL1
SCHEMBL2269930 0.78 SIGMAR1 (0.67) SIGMAR1HTR2CQDPRFTOINPPL1
SCHEMBL19459063 0.78 HTR2C (0.62) SIGMAR1HTR2CQDPRFTOINPPL1
Hydrochloric Acid SCHEMBL16423171 0.76 HTR2C (0.68) SIGMAR1HTR2CQDPRFTOINPPL1
SCHEMBL531984 0.76 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRINPPL1
SCHEMBL3386020 0.76 SIGMAR1 (0.59) SIGMAR1HTR2CQDPR
SCHEMBL3385639 0.75 HTR2C (0.59) SIGMAR1HTR2CQDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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 SIGMAR1 234/4885HTR2C 2910/4885QDPR 603/4885

“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.