SCHEMBL5542387

SCHEMBL5542387

[CH2]c1cccc(N(C)Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
IP6K1 Q92551 1/20 0.43
DHFR P00374 1/20 0.43
AOC3 Q16853 1/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL28819180 0.85 TSHR (0.48) TSHRALDH1A1CRHBPCRHR2NR1H2
SCHEMBL642317 0.80 CRHBP (0.61) TSHRALDH1A1CRHBPCRHR2NR1H2
SCHEMBL9638314 0.80 RAB9A (0.55) TSHRALDH1A1CRHBPCRHR2NR1H2
SCHEMBL10693193 0.80 SIGMAR1 (0.51) TSHRALDH1A1CRHBPCRHR2NR1H2
SCHEMBL16616918 0.79 DHFR (0.49) TSHRALDH1A1CRHBPCRHR2NR1H2
SCHEMBL9809626 0.79 MEN1 (0.48) TSHRALDH1A1CRHBPCRHR2NR1H2
SCHEMBL11135166 0.79 TAAR1 (0.54) TSHRALDH1A1CRHBPCRHR2NR1H2
SCHEMBL10907115 0.79 ALDH1A1 (0.55) TSHRALDH1A1CRHBPCRHR2NR1H2
SCHEMBL20853609 0.79 HTT (0.48) TSHRALDH1A1CRHBPCRHR2NR1H2
SCHEMBL28015765 0.79 TSHR (0.39) TSHRALDH1A1CRHBPCRHR2AOC3

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-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 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
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 TSHR 319/4885ALDH1A1 355/4885CRHBP 3246/4885

“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.