SCHEMBL5546176

SCHEMBL5546176

O=CCCSc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HSP90AA1 P07900 1/20 0.45
KCNH2 Q12809 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
MAOA P21397 1/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SDCBP O00560 1/20 0.39
SDC2 P34741 1/20 0.39
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 4/20 0.36

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
SCHEMBL10597373 0.79 ALDH1A1 (0.52) SMN1; SMN2HSP90AA1KCNH2L3MBTL1MAOA
SCHEMBL7009510 0.79 CA2 (0.46) HSP90AA1KCNH2RAB9ANPC1NFKB1
SCHEMBL7514361 0.79 ALDH1A1 (0.49) SMN1; SMN2L3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL5542119 0.79 KDM4E (0.47) L3MBTL1RAB9ANPC1POLBPKM
SCHEMBL5542701 0.79 ALDH1A1 (0.41) SMN1; SMN2MAOARAB9ANPC1POLB
SCHEMBL17030474 0.78 SMN1; SMN2 (0.48) SMN1; SMN2HSP90AA1KCNH2L3MBTL1MAOA
SCHEMBL949802 0.78 ALDH1A1 (0.61) SMN1; SMN2RAB9ANPC1CASP3SENP8
SCHEMBL10595686 0.75 SMN1; SMN2 (0.48) SMN1; SMN2HSP90AA1KCNH2L3MBTL1MAOA
SCHEMBL9621312 0.75 HRH3 (0.45) CRBN
SCHEMBL15945534 0.75 DAO (0.42) ALDH1A1TDP1MAPK1

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 9 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
EP-0323915-B1 BETA-HYDROXYKETONE AND ITS PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-08 EP disclosed
US-5101076-A β-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-31 US disclosed
US-5041679-A Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US disclosed
EP-0323915-A1 Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-07-12 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 SMN1; SMN2 3985/4885HSP90AA1 2426/4885KCNH2 3503/4885

“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.