SCHEMBL5535967

SCHEMBL5535967

O=COCCCc1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HPGD P15428 1/20 0.38
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
NAAA Q02083 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
MEN1 O00255 1/20 0.33
KDM4A O75164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL5541802 0.95 TAAR1 (0.44) TAAR1DRD2DRD3HPGDSLC1A3
SCHEMBL5541464 0.93 TAAR1 (0.43) TAAR1DRD2DRD3HPGDSLC1A3
SCHEMBL5544151 0.93 TAAR1 (0.43) TAAR1DRD2DRD3HPGDSLC1A3
SCHEMBL27488641 0.89 TAAR1 (0.48) TAAR1DRD2DRD3HPGDSLC1A3
SCHEMBL27467730 0.79 TAAR1 (0.54) TAAR1DRD2DRD3HPGDSLC1A3
SCHEMBL5541959 0.77
SCHEMBL9855401 0.76 TAAR1 (0.65) TAAR1DRD2DRD3SLC1A3SLC1A2
SCHEMBL2405859 0.76 TAAR1 (0.55) TAAR1DRD2DRD3HPGDSLC1A3
SCHEMBL19824760 0.76 TAAR1 (0.50) TAAR1DRD2DRD3HPGDNAAA
Hydrochloric Acid SCHEMBL28198042 0.76 SLC1A3 (0.46) TAAR1DRD2DRD3HPGDSLC1A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108976195-A 2- ghiourea group (urea groups) thiophene -3- formate ester derivative and application thereof 南方医科大学 2018-12-11 CN disclosed
CN-104487070-A Thiophene-based compounds exhibiting NOX4 inhibitory activity and use thereof in therapy GLUCOX BIOTECH AB 2015-04-01 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 TAAR1 364/4885DRD2 542/4885DRD3 132/4885

“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.