SCHEMBL5542959

SCHEMBL5542959

Clc1cc(-n2[c]nnn2)cc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2091433 0.60 NOTUM (0.44) NOTUMALDH1A1CYP3A4HPGDCRHBP
SCHEMBL15556257 0.59 NOTUM (0.35) NOTUMALDH1A1
SCHEMBL9830754 0.54 IP6K1 (0.45) ALDH1A1
SCHEMBL330561 0.54 CYP3A4 (0.65) ALDH1A1CYP3A4HPGDCRHBPCRHR2
SCHEMBL28761495 0.53 ALDH1A1 (0.45) NOTUMALDH1A1CYP3A4HPGDCRHBP
SCHEMBL358001 0.52 ALDH1A1 (1.00) ALDH1A1CYP3A4HPGDCRHBPCRHR2
SCHEMBL2906064 0.52 AHR (0.67) ALDH1A1CYP3A4HPGDCRHBPCRHR2
SCHEMBL28421611 0.52 CYP3A4 (0.61) ALDH1A1CYP3A4HPGDCRHBPCRHR2
Hydrochloric Acid SCHEMBL8840292 0.52 CYP3A4 (0.61) ALDH1A1CYP3A4HPGDCRHBPCRHR2
SCHEMBL2089009 0.50 ALDH1A1 (0.56) ALDH1A1CYP3A4HPGDCRHBPCRHR2

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 NOTUM 3827/4885ALDH1A1 355/4885CYP3A4 1683/4885

“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.