SCHEMBL5536643

SCHEMBL5536643

[CH2]c1cccc(-c2c(Cl)cc(Cl)cc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.43
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 2/20 0.35
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.32
IKBKE Q14164 1/20 0.32
HSP90AA1 P07900 1/20 0.32
NOTUM Q6P988 1/20 0.32
ALOX5 P09917 1/20 0.31
CYP1A2 P05177 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL2096296 0.80 RXRA (0.50) CNR1RXRARXRBTSHRNOTUM
SCHEMBL4458179 0.79 ALOX5 (0.48) AHRALDH1A1TSHRTP53IKBKE
SCHEMBL9293227 0.78 AHR (0.52) AHRALDH1A1TSHRHSD17B10TP53
SCHEMBL2088470 0.77 ALOX5 (0.52) ALDH1A1TSHRTP53NOTUMALOX5
SCHEMBL2090907 0.76 HTR7 (0.46) GRIA1CACNG8CYP1A2
SCHEMBL2091157 0.76 CYP1A2 (0.54) AHRCNR1ALDH1A1CYP3A4ALOX5
SCHEMBL27629934 0.75 AHR (0.48) AHRALDH1A1GRIA1CACNG8CYP3A4
SCHEMBL5536644 0.74 L3MBTL1 (0.49) AHRCNR1TSHR
SCHEMBL31339476 0.74 TAAR1 (0.45) AHRALDH1A1NOTUMTAAR1
SCHEMBL2932603 0.74 AHR (0.52) AHRALDH1A1CYP3A4TSHRRECQL

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 AHR 1471/4885CNR1 857/4885ALDH1A1 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.