SCHEMBL5543377

SCHEMBL5543377

Clc1cccc(CCOc2cc[c]cc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
PNMT P11086 1/20 0.43
IDO1 P14902 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 3/20 0.34
MAOB P27338 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
CYP2A13 Q16696 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL5543732 0.87 TAAR1 (0.44) TAAR1PNMTIDO1SIRT2ALDH1A1
SCHEMBL697645 0.83 IDO1 (0.53) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL27629702 0.79 TAAR1 (0.43) TAAR1PNMTIDO1KCNH2MAOB
SCHEMBL6945565 0.75 TAAR1 (0.39) TAAR1PNMTIDO1MAPTTDP1
SCHEMBL5542124 0.73 MAOB (0.46) TAAR1IDO1SIRT2MAOBTDP1
SCHEMBL920476 0.73 NR4A2 (0.57) IDO1POLBMAOBMAPTTDP1
SCHEMBL24822382 0.72 TAAR1 (0.57) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL28301170 0.72 KCNA3 (0.52) TAAR1PNMTIDO1SIRT2ALDH1A1
SCHEMBL5536851 0.71 TAAR1 (0.47) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL17514976 0.71 PTPN1 (0.44) IDO1POLBMAOBMAPTTDP1

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 364/4885PNMT 4701/4885IDO1 3181/4885

“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.