SCHEMBL5547707

SCHEMBL5547707

[CH2]Cc1nnnn1-c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.41
ALDH1A1 P00352 9/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 4/20 0.39
PKM P14618 2/20 0.39
HSD11B1 P28845 2/20 0.38
HTT P42858 2/20 0.36
NLRP3 Q96P20 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 3/20 0.35
TSHR P16473 3/20 0.35
P2RX7 Q99572 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MGLL Q99685 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 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
SCHEMBL5540902 0.80 KCNN4 (0.51) KCNN4ALDH1A1KMT2AHSD11B1MEN1
SCHEMBL5545724 0.80 KCNN4 (0.50) KCNN4
SCHEMBL27629328 0.77 KCNN4 (0.44) KCNN4ALDH1A1KMT2ALMNAPKM
SCHEMBL5545310 0.75 HTT (0.60) ALDH1A1KMT2ALMNAPKMHSD11B1
SCHEMBL5546019 0.75 KCNN4 (0.49) KCNN4ALDH1A1KMT2ALMNAHTT
SCHEMBL5539749 0.75 KCNN4 (0.41) KCNN4ALDH1A1KMT2ALMNAPKM
SCHEMBL5544572 0.74 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAPKMHSD11B1
SCHEMBL5539746 0.74 HSD11B1 (0.40) KCNN4ALDH1A1KMT2ALMNAPKM
SCHEMBL6321042 0.74 KCNN4 (0.44) KCNN4ALDH1A1KMT2ALMNAPKM
SCHEMBL28456095 0.74 KCNN4 (0.44) KCNN4ALDH1A1KMT2ALMNAHTT

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 10 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

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 KCNN4 3997/4885ALDH1A1 355/4885KMT2A 4267/4885

“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.