SCHEMBL5537239

SCHEMBL5537239

S=[C]Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 5/20 0.36
CYP3A4 P08684 4/20 0.36
HSD17B10 Q99714 4/20 0.36
RECQL P46063 3/20 0.36
MAPK1 P28482 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
CASP1 P29466 2/20 0.33
CASP7 P55210 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
NR1I2 O75469 1/20 0.33
SLC22A3 O75751 1/20 0.33

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
SCHEMBL96967 0.75 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL28599801 0.75 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL1589717 0.75 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL10778262 0.72 TSHR (0.42) TSHRCYP3A4TP53
SCHEMBL3635724 0.70 CYP1A2 (0.63) ALDH1A1TSHRCYP3A4HSD17B10MAPK1
SCHEMBL29074259 0.69 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL1589735 0.67 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL10821175 0.65 CYP3A4 (0.43) ALDH1A1TSHRCYP3A4HSD17B10MAPK1
SCHEMBL2090996 0.65 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL320021 0.65 TSHR (0.48) ALDH1A1TSHRCYP3A4HSD17B10RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 355/4885TSHR 319/4885CYP3A4 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.