SCHEMBL5537412

SCHEMBL5537412

S=[C]Cc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
HTR2A P28223 1/20 0.42
CYP2A6 P11509 1/20 0.42
IDO1 P14902 4/20 0.41
PYCR1 P32322 4/20 0.39
MAOB P27338 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4228681 0.78 CYP2A6 (0.47) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL5546173 0.75 TAAR1 (0.50) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL9331371 0.74 TRPA1 (0.52) TAAR1IDO1MEN1KMT2A
SCHEMBL3736025 0.74 TAAR1 (0.48) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL1875 0.74 MAOB (0.42) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL11690460 0.74 IDO1 (0.46) TAAR1CYP2A6IDO1PYCR1MEN1
SCHEMBL18245048 0.74 TAAR1 (0.42) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL18770738 0.74 PYCR1 (0.54) TAAR1HTR2ACYP2A6IDO1PYCR1
SCHEMBL3633726 0.74 MIF (0.52) TAAR1IDO1PYCR1MAOB
SCHEMBL2952783 0.74 MIF (0.48) TAAR1HTR2ACYP2A6IDO1MAOB

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 10 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
US-4560749-A ANTIBIOTICS, BACTERICIDES ELI LILLY AND COMPANY (US) 1985-12-24 US disclosed
US-4521598-A 3-Azidocephalosporins ELI LILLY AND COMPANY (US) 1985-06-04 US disclosed
EP-0136177-A2 3-Azidocephalosporins as intermediates and novel antibacterial agents ELI LILLY AND COMPANY (US) 1985-04-03 EP disclosed
US-4045435-A Preparation of cephalosporin ethers ELI LILLY AND COMPANY (US) 1977-08-30 US disclosed
US-3953438-A Preparation of cephalosporin ethers ELI LILLY AND COMPANY (US) 1976-04-27 US 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 364/4885HTR2A 4120/4885CYP2A6 1119/4885

“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.