SCHEMBL5543527

SCHEMBL5543527

Clc1ccc(-c2[c]csc2)s1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
HSD17B1 P14061 3/20 0.33
HSD17B2 P37059 2/20 0.33
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
PPARG P37231 1/20 0.30
KMT2A Q03164 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
RAB9A P51151 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
SCHEMBL9193008 0.69 CYP2A6 (0.50) CYP2A6HSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL14451033 0.67 CYP2A6 (0.46) CYP2A6HSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL5540662 0.65 CYP2A6 (0.40) CYP2A6HSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL6084576 0.64 HSD17B1 (0.33) CYP2A6HSD17B1HSD17B2
SCHEMBL6357715 0.62 HSD17B1 (0.34) CYP2A6HSD17B1HSD17B2ALDH1A1NPSR1
SCHEMBL5544758 0.61 CYP2A6 (0.36) CYP2A6HSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL18207689 0.61 CYP2A6 (0.44) CYP2A6ALDH1A1
SCHEMBL679889 0.60 ALDH1A1 (0.40) CYP2A6HSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL1638687 0.59 CYP2A6 (0.38) CYP2A6HSD17B1HSD17B2KDM4EALDH1A1
SCHEMBL6298604 0.59 HSD17B1 (0.46) CYP2A6HSD17B1HSD17B2

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
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 CYP2A6 1119/4885HSD17B1 225/4885HSD17B2 237/4885

“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.