SCHEMBL5545310

SCHEMBL5545310

[CH2]Cc1nnnn1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
PKM P14618 2/20 0.60
NLRP3 Q96P20 1/20 0.60
ALDH1A1 P00352 14/20 0.54
LMNA P02545 5/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
THRB P10828 1/20 0.54
HSD11B1 P28845 4/20 0.53
NPSR1 Q6W5P4 3/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 2/20 0.49
MAPT P10636 2/20 0.49
CCR6 P51684 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL15452739 0.84 HTT (0.64) HTTPKMNLRP3ALDH1A1LMNA
SCHEMBL4675275 0.84 HSD11B1 (0.64) HTTPKMNLRP3ALDH1A1LMNA
SCHEMBL2095298 0.81 HTT (0.71) HTTPKMNLRP3ALDH1A1LMNA
SCHEMBL5546774 0.81 CYP1A2 (0.56) HTTPKMNLRP3ALDH1A1LMNA
SCHEMBL5536934 0.81 HSD11B1 (0.49) HTTPKMNLRP3ALDH1A1LMNA
SCHEMBL5541058 0.81 ALDH1A1 (0.55) HTTPKMNLRP3ALDH1A1LMNA
SCHEMBL16877177 0.81 ALDH1A1 (0.70) HTTPKMNLRP3ALDH1A1LMNA
SCHEMBL2212836 0.81 ALDH1A1 (0.69) HTTPKMNLRP3ALDH1A1LMNA
SCHEMBL10934021 0.81 HTT (0.60) HTTPKMNLRP3ALDH1A1LMNA
SCHEMBL156901 0.81 HTT (0.60) HTTPKMNLRP3ALDH1A1LMNA

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 11 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US 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 HTT 4644/4885PKM 4291/4885NLRP3 2397/4885

“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.