SCHEMBL5546602

SCHEMBL5546602

O=COCCc1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
IDO1 P14902 2/20 0.42
GPR52 Q9Y2T5 1/20 0.41
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PYCR1 P32322 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27779739 0.81 CYP2A6 (0.32) TAAR1IDO1NPC1RAB9A
SCHEMBL7340191 0.81 TAAR1 (0.48) TAAR1IDO1GPR52ALDH1A1NPC1
SCHEMBL28924 0.80 IDO1 (0.55) TAAR1IDO1GPR52ALDH1A1NPC1
SCHEMBL12028431 0.78 L3MBTL1 (0.39) ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL2096285 0.78 TAAR1 (0.52) TAAR1IDO1ALDH1A1PARP10LMNA
SCHEMBL9331124 0.77 TAAR1 (0.58) TAAR1IDO1GPR52ALDH1A1TSHR
SCHEMBL322966 0.77 TAAR1 (0.48) TAAR1IDO1NPC1RAB9A
SCHEMBL16357125 0.77 ALDH1A1 (0.34) ALDH1A1HTTSMN1; SMN2
SCHEMBL12149737 0.77 TAAR1 (0.48) TAAR1ALDH1A1TSHRSIRT2KMT2A
SCHEMBL5539864 0.77 FDPS (0.36) TAAR1IDO1ALDH1A1NPC1HTT

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 5 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

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 364/4885IDO1 3181/4885GPR52 613/4885

“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.