SCHEMBL5537893

SCHEMBL5537893

Clc1cc(-c2[c]occ2)cc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHR P35869 8/20 0.40
CYP1B1 Q16678 1/20 0.40
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11456086 0.65 ESR1 (0.43) ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL5535944 0.65 NPC1 (0.37) ALDH1A1HSD17B10
SCHEMBL8096908 0.65 MAPT (0.43) ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL2906064 0.65 AHR (0.67) AHRCYP1B1ALDH1A1CYP3A4HPGD
SCHEMBL5541945 0.64 TAAR1 (0.41) ALDH1A1HPGD
SCHEMBL11014730 0.64
SCHEMBL3790377 0.64 MAOA (0.47) ALDH1A1CYP3A4HPGD
SCHEMBL5056923 0.64 ACHE (0.41) ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL8096259 0.62 CYP2A6 (0.40) ALDH1A1CYP3A4
SCHEMBL5538900 0.61 KIF11 (0.43) ALDH1A1

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 AHR 1471/4885CYP1B1 1052/4885ALDH1A1 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.