SCHEMBL5538514

SCHEMBL5538514

O=[C]NCc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
P2RX7 Q99572 5/20 0.34
TSHR P16473 4/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP3A4 P08684 2/20 0.33
RECQL P46063 2/20 0.33
TP53 P04637 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 2/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5546533 0.77 AKR1B1 (0.43) ALDH1A1P2RX7HSD17B10CYP3A4MEN1
SCHEMBL3307124 0.77 TACR1 (0.38) P2RX7TSHRMEN1KMT2A
SCHEMBL5210365 0.75 IDO1 (0.48) ALDH1A1TSHRCYP3A4MEN1KMT2A
SCHEMBL5538520 0.73 ADH1B (0.40) ALDH1A1P2RX7TSHRHSD17B10CYP3A4
SCHEMBL3304786 0.72 P2RX7 (0.43) ALDH1A1P2RX7TSHRHSD17B10CYP3A4
SCHEMBL96967 0.71 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL3310591 0.70 TSHR (0.53) ALDH1A1TSHRCYP3A4MEN1KMT2A
SCHEMBL3311008 0.69 HDAC3 (0.46) TSHRCYP3A4MEN1KMT2AMAPT
SCHEMBL350152 0.68 MEN1 (0.52) ALDH1A1HSD17B10MEN1KMT2APOLB
SCHEMBL5543686 0.68 RAPGEF4 (0.37) ALDH1A1P2RX7RAPGEF4MEN1KMT2A

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 ALDH1A1 355/4885P2RX7 3548/4885TSHR 319/4885

“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.