SCHEMBL5540741

SCHEMBL5540741

[O]c1cccc2c1CCCC2=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP2A6 P11509 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.41
BRD4 O60885 8/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.37
PRKCI P41743 1/20 0.36
TYMS P04818 1/20 0.36

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
SCHEMBL5541367 0.87 ALDH1A1 (0.41) MAOAMAOBCYP2A6MEN1KMT2A
SCHEMBL29501042 0.79 PARP1 (0.55) MAOAMAOBCYP2A6MRGPRX4BRD4
SCHEMBL1151194 0.79 PARP1 (0.55) MAOAMAOBCYP2A6MRGPRX4BRD4
SCHEMBL1151296 0.78 BRD4 (0.49) MAOAMAOBCYP2A6MRGPRX4BRD4
SCHEMBL1151120 0.78 CYP2A6 (0.48) MAOAMAOBCYP2A6MRGPRX4BRD4
SCHEMBL18675974 0.78 CYP2A6 (0.48) MAOAMAOBCYP2A6MRGPRX4BRD4
SCHEMBL29514736 0.78 PARP10 (0.53) MAOAMAOBCYP2A6MRGPRX4BRD4
SCHEMBL1661783 0.78 PARP10 (0.53) MAOAMAOBCYP2A6MRGPRX4BRD4
SCHEMBL22479791 0.78 MAOA (0.48) MAOAMAOBCYP2A6MRGPRX4BRD4
SCHEMBL31318400 0.78 MAOA (0.48) MAOAMAOBCYP2A6MRGPRX4BRD4

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 MAOA 2885/4885MAOB 2140/4885CYP2A6 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.